Molecule

ID:52148

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
GATUGNVDXMYTJX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(ccc(cc1)C(=O)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.623948
LogD (pH = 7.4)
3.623948
Log P
3.623948
Molar Refractivity
63.2195
Polarizability
25.757421
Polar Surface Area
26.3
Rotatable Bonds
3
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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