Molecule

ID:59236

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃
Molecular Mass
171.19856
Exact Mass
171.0796473
Charge
0
InChI
InChI=1S/C10H9N3/c11-6-3-7-13-10-5-2-1-4-9(10)8-12-13/h1-2,4-5,8H,3,7H2
InChIKey
LYGBKKOGWPGQGA-UHFFFAOYSA-N
Canonic Smiles
N#CCCn1ncc2c1cccc2
Isomeric Smiles
c1cccc2c1n(nc2)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1929153
LogD (pH = 7.4)
1.1929286
Log P
1.1929287
Molar Refractivity
61.0524
Polarizability
20.027246
Polar Surface Area
41.61
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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