Molecule

ID:90752

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-3-7(2)8(4-9)10-5-6/h3,5H,1-2H3
InChIKey
MYBGPKXHLYUSQF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1C)C
Isomeric Smiles
n1c(c(cc(c1)C)C)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0242476
LogD (pH = 7.4)
2.0243611
Log P
2.0243626
Molar Refractivity
39.3331
Polarizability
14.796175
Polar Surface Area
36.68
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
References
Bioactivity
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