Molecule

ID:75075

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₂
Molecular Mass
224.25458
Exact Mass
224.08372962
Charge
0
InChI
InChI=1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
InChIKey
WFSMJMTYIMFHPV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1c2ccccc2c2c1cccc2
Isomeric Smiles
O=C(CC1c2c(cccc2)c2ccccc12)O
Calculated Properties
JChem
Acid pKa
4.7203865
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3047857
LogD (pH = 7.4)
0.527245
Log P
3.1503654
Molar Refractivity
65.6884
Polarizability
26.616135
Polar Surface Area
37.3
Rotatable Bonds
2
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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