Molecule

ID:63998

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-8-7(2-4-9-6)3-5-10-8/h2-5,10H,1H3
InChIKey
VJGXVQYLRZDTLP-UHFFFAOYSA-N
Canonic Smiles
Cc1nccc2c1[nH]cc2
Isomeric Smiles
c1cc2cc[nH]c2c(C)n1
Calculated Properties
JChem
Acid pKa
15.11977
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.20325372
LogD (pH = 7.4)
0.95308983
Log P
0.98570555
Molar Refractivity
39.5791
Polarizability
16.470245
Polar Surface Area
28.68
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
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Molecule Details
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References
Bioactivity
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