Molecule

ID:101313

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-11(15)13-9-5-6-10-14(13)16-12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
KPBCVVSDGJBODL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1Oc1ccccc1
Isomeric Smiles
c1(c(Oc2ccccc2)cccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.523909
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0311806
LogD (pH = 7.4)
3.0311806
Log P
3.0311806
Molar Refractivity
62.7016
Polarizability
24.405916
Polar Surface Area
26.3
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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