Molecule

ID:57218

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO
Molecular Mass
157.16868
Exact Mass
157.05276385
Charge
0
InChI
InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
InChIKey
ILRSABOCKMOFGW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1ccnc2
Isomeric Smiles
c1ccc2c(c1C=O)ccnc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4319521
LogD (pH = 7.4)
1.4572183
Log P
1.4575524
Molar Refractivity
46.9353
Polarizability
18.881989
Polar Surface Area
29.96
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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