Molecule

ID:65851

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
VGHVJQXWDXRTRJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1O)Cc1ccccc1
Isomeric Smiles
c1ccc(c(c1)C(=O)Cc1ccccc1)O
Calculated Properties
JChem
Acid pKa
10.117074
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7116575
LogD (pH = 7.4)
3.7108417
Log P
3.7116678
Molar Refractivity
63.1636
Polarizability
24.272303
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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