Molecule

ID:1426

General Information
Structure
MolImage
Molecular Formula
C₉H₈O₃
Molecular Mass
164.15802
Exact Mass
164.04734412
Charge
0
InChI
InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKey
PMOWTIHVNWZYFI-AATRIKPKSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1O
Isomeric Smiles
C(=C\c1ccccc1O)/C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.36
LogD (pH = 5.5)
0.27
Log P
1.83
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.95
Polar Surface Area
57.53
Polarizability
16.27
Molar Refractivity
45.04
LOG S
-1.68
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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