Molecule

ID:87408

General Information
Structure
MolImage
Molecular Formula
C₉H₇N₃
Molecular Mass
157.17198
Exact Mass
157.06399724
Charge
0
InChI
InChI=1S/C9H7N3/c1-12-9-4-7(5-10)2-3-8(9)6-11-12/h2-4,6H,1H3
InChIKey
WMKXQAVXMOAOAG-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc2c1cc(cc2)C#N
Isomeric Smiles
n1cc2ccc(cc2n1C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2760674
LogD (pH = 7.4)
1.2760798
Log P
1.2760799
Molar Refractivity
57.0107
Polarizability
18.253046
Polar Surface Area
41.61
Rotatable Bonds
0
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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