Molecule

ID:87546

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO
Molecular Mass
183.20596
Exact Mass
183.06841391
Charge
0
InChI
InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H
InChIKey
SKFLCXNDKRUHTA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccncc1)c1ccccc1
Isomeric Smiles
n1ccc(cc1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.213093
LogD (pH = 7.4)
2.2149034
Log P
2.2149265
Molar Refractivity
54.4766
Polarizability
21.095741
Polar Surface Area
29.96
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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