Molecule

ID:14508

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO
Molecular Mass
157.16868
Exact Mass
157.05276385
Charge
0
InChI
InChI=1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H
InChIKey
VUAOIXANWIFYCU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)cccn2
Isomeric Smiles
c12c(ccc(c1)C=O)nccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8272827
LogD (pH = 7.4)
1.8431958
Log P
1.8434029
Molar Refractivity
46.5633
Polarizability
18.884977
Polar Surface Area
29.96
Rotatable Bonds
1
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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