1.0
2020-04-06 11:06:03 UTC
2020-04-06 23:43:20 UTC
FDB111673
Bufotenin
C12H16N2O
204.2682
204.126263144
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
bufotenine
CN(C)CCC1=CNC2=C1C=C(O)C=C2
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
VTTONGPRPXSUTJ-UHFFFAOYSA-N
belongs to the class of organic compounds known as serotonins. Serotonins are compounds containing a serotonin moiety, which consists of an indole that bears an aminoethyl a position 2 and a hydroxyl group at position 5.
Serotonins
Organic compounds
Organoheterocyclic compounds
Indoles and derivatives
Tryptamines and derivatives
Aromatic heteropolycyclic compounds
1-hydroxy-2-unsubstituted benzenoids
3-alkylindoles
Alkaloids and derivatives
Aralkylamines
Azacyclic compounds
Heteroaromatic compounds
Hydrocarbon derivatives
Hydroxyindoles
Organooxygen compounds
Organopnictogen compounds
Substituted pyrroles
Trialkylamines
1-hydroxy-2-unsubstituted benzenoid
3-alkylindole
Alkaloid or derivatives
Amine
Aralkylamine
Aromatic heteropolycyclic compound
Azacycle
Benzenoid
Heteroaromatic compound
Hydrocarbon derivative
Hydroxyindole
Indole
Organic nitrogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Pyrrole
Serotonin
Substituted pyrrole
Tertiary aliphatic amine
Tertiary amine
Indole alkaloids
tertiary amine
tryptamine alkaloid
logp
2.04
logs
-1.81
solubility
3.20e+00 g/l
logp
1.29
pka_strongest_acidic
9.23
pka_strongest_basic
9.91
iupac
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol
average_mass
204.2682
mono_mass
204.126263144
smiles
CN(C)CCC1=CNC2=C1C=C(O)C=C2
formula
C12H16N2O
inchi
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
inchikey
VTTONGPRPXSUTJ-UHFFFAOYSA-N
polar_surface_area
39.26
refractivity
62.42
polarizability
23.29
rotatable_bond_count
3
acceptor_count
2
donor_count
2
physiological_charge
1
formal_charge
0
Specdb::EiMs
179
Specdb::MsIr
9416
Specdb::MsIr
9417
Specdb::MsIr
9418
Specdb::MsMs
68796
Specdb::MsMs
68797
Specdb::MsMs
68798
Specdb::MsMs
126909
Specdb::MsMs
126910
Specdb::MsMs
126911
Specdb::MsMs
2421429
Specdb::MsMs
2421430
Specdb::MsMs
2421431
Specdb::MsMs
2545012
Specdb::MsMs
2545013
Specdb::MsMs
2545014
Specdb::CMs
19962
Specdb::CMs
47584
Specdb::CMs
135474
Specdb::CMs
143208
Specdb::NmrOneD
50162
Specdb::NmrOneD
50163
Specdb::NmrOneD
50164
Specdb::NmrOneD
50165
Specdb::NmrOneD
50166
Specdb::NmrOneD
50167
Specdb::NmrOneD
50168
Specdb::NmrOneD
50169
Specdb::NmrOneD
50170
Specdb::NmrOneD
50171
Specdb::NmrOneD
50172
Specdb::NmrOneD
50173
Specdb::NmrOneD
50174
Specdb::NmrOneD
50175
Specdb::NmrOneD
50176
Specdb::NmrOneD
50177
Specdb::NmrOneD
50178
Specdb::NmrOneD
50179
Specdb::NmrOneD
50180
Specdb::NmrOneD
50181
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823