Mrv0541 02241209172D          

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M  END
> <DATABASE_ID>
FDB019403

> <DATABASE_NAME>
foodb

> <SMILES>
COC1=CC(\C=C\C(=O)NCCC2=CC(O)=C(OC)C=C2)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO5/c1-24-17-7-4-14(11-16(17)22)9-10-20-19(23)8-5-13-3-6-15(21)18(12-13)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+

> <INCHI_KEY>
ACSWAJLDOHJFNA-VMPITWQZSA-N

> <FORMULA>
C19H21NO5

> <MOLECULAR_WEIGHT>
343.3737

> <EXACT_MASS>
343.141972787

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
37.144862114525154

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide

> <ALOGPS_LOGP>
2.38

> <JCHEM_LOGP>
2.6434808596666666

> <ALOGPS_LOGS>
-4.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.195769382825988

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.593627031692535

> <JCHEM_PKA_STRONGEST_BASIC>
1.2097668269743809

> <JCHEM_POLAR_SURFACE_AREA>
88.02

> <JCHEM_REFRACTIVITY>
96.03460000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.16e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]prop-2-enamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB019403

> <GENERIC_NAME>
N-trans-Feruloyl-4-O-methyldopamine

$$$$