Molecule

ID:16985

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-10H,1H3
InChIKey
HERVRULEZPWOIG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccccc1C
Isomeric Smiles
c1(c2ccc(cc2)C=O)c(cccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.846395
LogD (pH = 7.4)
3.846395
Log P
3.846395
Molar Refractivity
62.8194
Polarizability
25.062527
Polar Surface Area
17.07
Rotatable Bonds
2
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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