Molecule

ID:87239

General Information
Structure
Molecular Formula
C₁₀H₇NO
Molecular Mass
157.16868
Exact Mass
157.05276385
Charge
0
InChI
InChI=1S/C10H7NO/c12-7-8-1-2-10-6-11-4-3-9(10)5-8/h1-7H
InChIKey
SXPXHJKHWVCCRO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)ccnc2
Isomeric Smiles
n1cc2ccc(cc2cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4477142
LogD (pH = 7.4)
1.4574269
Log P
1.4575524
Molar Refractivity
46.9353
Polarizability
18.880463
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
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References
Bioactivity
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