Molecule

ID:3225

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₂
Molecular Mass
122.12134
Exact Mass
122.03677943
Charge
0
InChI
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey
RGHHSNMVTDWUBI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)O
Isomeric Smiles
Oc1ccc(C=O)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.04
LogD (pH = 5.5)
1.38
Log P
1.38
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.32
Polar Surface Area
37.30
Polarizability
11.98
Molar Refractivity
34.62
LOG S
-0.88
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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