Molecule

ID:66437

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO
Molecular Mass
183.20596
Exact Mass
183.06841391
Charge
0
InChI
InChI=1S/C12H9NO/c14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12/h1-9H
InChIKey
NMLYGLCBSFKJFI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccccn1
Isomeric Smiles
C(=O)c1ccc(cc1)c1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.474831
LogD (pH = 7.4)
2.5008092
Log P
2.5011513
Molar Refractivity
55.2493
Polarizability
22.343004
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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