Molecule

ID:110856

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈O
Molecular Mass
180.20202
Exact Mass
180.05751488
Charge
0
InChI
InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H
InChIKey
WWBGWPHHLRSTFI-UHFFFAOYSA-N
Canonic Smiles
O=C1C=Cc2c3c1cccc3ccc2
Isomeric Smiles
O=C1C=Cc2cccc3c2c1ccc3
Calculated Properties
JChem
Acid pKa
16.283499
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9065564
LogD (pH = 7.4)
2.9065564
Log P
2.9065564
Molar Refractivity
57.2692
Polarizability
22.629868
Polar Surface Area
17.07
Rotatable Bonds
0
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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