Molecule

ID:33830

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N₃
Molecular Mass
149.19304
Exact Mass
149.09529737
Charge
0
InChI
InChI=1S/C8H11N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3,5H2,1-2H3
InChIKey
ICIVXBSKIBYPHR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CCC#N)C
Isomeric Smiles
n1n(c(cc1C)C)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5019859
LogD (pH = 7.4)
0.50494444
Log P
0.5049823
Molar Refractivity
54.4659
Polarizability
16.027306
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
No Data Available
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Molecule Details
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References
Bioactivity
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