Molecule

ID:91662

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-16-13-8-6-11(7-9-13)14-5-3-2-4-12(14)10-15/h2-10H,1H3
InChIKey
RMFQIZQKPSRFAC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccccc1C=O
Isomeric Smiles
O(c1ccc(cc1)c1c(cccc1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1753023
LogD (pH = 7.4)
3.1753023
Log P
3.1753023
Molar Refractivity
64.2414
Polarizability
25.749683
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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