Molecule

ID:66643

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3,(H,9,10)
InChIKey
DCUNRLLJHAWKRZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)cn[nH]2
Isomeric Smiles
[nH]1ncc2cc(ccc12)C
Calculated Properties
JChem
Acid pKa
12.503802
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8096989
LogD (pH = 7.4)
1.8097254
Log P
1.8097291
Molar Refractivity
41.1143
Polarizability
16.461151
Polar Surface Area
28.68
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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