Molecule

ID:59133

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃
Molecular Mass
135.16646
Exact Mass
135.0796473
Charge
0
InChI
InChI=1S/C7H9N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2,4H2,1H3
InChIKey
NNNKVMLNDZRJME-UHFFFAOYSA-N
Canonic Smiles
Cc1cn(nc1)CCC#N
Isomeric Smiles
n1cc(cn1CCC#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6873506
LogD (pH = 7.4)
0.6874706
Log P
0.68747216
Molar Refractivity
49.7659
Polarizability
14.26977
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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