Molecule

ID:7755

General Information
Structure
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
DJNIFZYQFLFGDT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1c(ccc(c1)C(=O)C)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
16.20769
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
24.403309
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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