Molecule

ID:87410

General Information
Structure
MolImage
Molecular Formula
C₉H₇N₃
Molecular Mass
157.17198
Exact Mass
157.06399724
Charge
0
InChI
InChI=1S/C9H7N3/c1-12-6-8-7(5-10)3-2-4-9(8)11-12/h2-4,6H,1H3
InChIKey
IXVBGVWMIAYPNJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1cn(n2)C
Isomeric Smiles
n1(cc2c(cccc2n1)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6325206
LogD (pH = 7.4)
1.632529
Log P
1.6325291
Molar Refractivity
56.7612
Polarizability
18.264717
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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