Molecule

ID:81873

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂
Molecular Mass
120.15182
Exact Mass
120.06874827
Charge
0
InChI
InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3
InChIKey
DRXOPQFEWDRGKT-UHFFFAOYSA-N
Canonic Smiles
Cn1c(ccc1C)C#N
Isomeric Smiles
n1(c(ccc1C)C#N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2524647
LogD (pH = 7.4)
1.2524647
Log P
1.2524647
Molar Refractivity
36.4623
Polarizability
13.392098
Polar Surface Area
28.72
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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