Molecule

ID:89440

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKey
CKGKXGQVRVAKEA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1C(=O)c1ccccc1
Isomeric Smiles
O=C(c1c(cccc1)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9460201
LogD (pH = 7.4)
3.9460201
Log P
3.9460201
Molar Refractivity
61.6747
Polarizability
23.79737
Polar Surface Area
17.07
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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