Mrv1652305271900292D          

  9  8  0  0  0  0            999 V2000
   24.1826  -11.7217    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   26.3258   -9.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6114   -8.4220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1826   -9.2469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8971   -9.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1826  -10.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8971  -10.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4682  -12.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6114   -9.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB012370

> <DATABASE_NAME>
foodb

> <SMILES>
C[Se]CCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)

> <INCHI_KEY>
RJFAYQIBOAGBLC-UHFFFAOYSA-N

> <FORMULA>
C5H11NO2Se

> <MOLECULAR_WEIGHT>
196.11

> <EXACT_MASS>
196.995500429

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.922133308535319

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-(methylselanyl)butanoic acid

> <ALOGPS_LOGP>
-2.46

> <JCHEM_LOGP>
-3.3019949587229283

> <ALOGPS_LOGS>
-0.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5595213885250399

> <JCHEM_PKA_STRONGEST_BASIC>
9.502319448582847

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
42.90740000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+,-)-selenomethionine

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB012370

> <GENERIC_NAME>
Selenomethionine

$$$$