Molecule

ID:16359

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
InChIKey
MIMYTSWNVBMNRH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c1c(cc2c(c1)cc[nH]2)N
Calculated Properties
JChem
Acid pKa
17.066113
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.2332492
LogD (pH = 7.4)
1.2429566
Log P
1.2430818
Molar Refractivity
41.8449
Polarizability
16.743074
Polar Surface Area
41.81
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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