Molecule

ID:104924

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
138.12074
Exact Mass
138.03169405
Charge
0
InChI
InChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKey
IXWOUPGDGMCKGT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1O)O
Isomeric Smiles
Oc1cccc(C=O)c1O
Calculated Properties
JChem
LogD (pH = 7.4)
1.71
LogD (pH = 5.5)
1.73
Log P
1.73
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
8.88
Polar Surface Area
57.53
Polarizability
12.79
Molar Refractivity
36.60
LOG S
-0.50
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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