Molecule

ID:68939

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3
InChIKey
MBZDCUMFFPWLTJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)C)N
Isomeric Smiles
C(#N)c1cc(c(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5137899
LogD (pH = 7.4)
1.5138369
Log P
1.5138375
Molar Refractivity
41.5212
Polarizability
15.065951
Polar Surface Area
49.81
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
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Molecule Details
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References
Bioactivity
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