Molecule

ID:34302

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5H2
InChIKey
KWGZNYCFTYOQHV-UHFFFAOYSA-N
Canonic Smiles
N#CCCc1ccccn1
Isomeric Smiles
c1nc(ccc1)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.72505
LogD (pH = 7.4)
0.76916045
Log P
0.7697552
Molar Refractivity
38.3652
Polarizability
14.79353
Polar Surface Area
36.68
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
References
Bioactivity
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