Molecule

ID:89839

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKey
ISAOCJYIOMOJEB-UHFFFAOYSA-N
Canonic Smiles
OC(C(=O)c1ccccc1)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)C(c1ccccc1)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.65
LogD (pH = 5.5)
2.65
Log P
2.65
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
12.62
Polar Surface Area
37.30
Polarizability
22.29
Molar Refractivity
62.52
LOG S
-3.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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