Molecule

ID:28202

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-10H,11H2
InChIKey
PBEJTRAJWCNHRS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1ccccc1
Isomeric Smiles
c1(c(OCc2ccccc2)cccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2525501
LogD (pH = 7.4)
3.2525501
Log P
3.2525501
Molar Refractivity
63.7178
Polarizability
24.343948
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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