Molecule

ID:111991

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O
Molecular Mass
220.26588
Exact Mass
220.088815
Charge
0
InChI
InChI=1S/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3
InChIKey
KVWSVUPNZVIFBN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2c(c2c1cccc2)C
Isomeric Smiles
Cc1c2ccccc2c(C=O)c2c1cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.178123
LogD (pH = 7.4)
4.178123
Log P
4.178123
Molar Refractivity
70.5836
Polarizability
29.25478
Polar Surface Area
17.07
Rotatable Bonds
1
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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