Molecule

ID:104763

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₂
Molecular Mass
122.12134
Exact Mass
122.03677943
Charge
0
InChI
InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKey
MDYOLVRUBBJPFM-UHFFFAOYSA-N
Canonic Smiles
Oc1cccccc1=O
Isomeric Smiles
Oc1cccccc1=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.44
LogD (pH = 5.5)
1.07
Log P
1.09
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
6.86
Polar Surface Area
37.30
Polarizability
11.89
Molar Refractivity
38.12
LOG S
-1.40
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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