Molecule

ID:78303

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-3-8(5-9)4-7(2)10-6/h3-4H,1-2H3
InChIKey
TXBLTSMCEXEFMI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(C)nc(c1)C
Isomeric Smiles
n1c(cc(cc1C)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.87412846
LogD (pH = 7.4)
0.8744064
Log P
0.8744099
Molar Refractivity
38.8057
Polarizability
14.789944
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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