Molecule

ID:30747

General Information
Structure
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,9H2
InChIKey
TXQAZWIBPGKHOX-UHFFFAOYSA-N
Canonic Smiles
Nc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.24
LogD (pH = 5.5)
1.24
Log P
1.24
Rotatable Bonds
0
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-0.08
Polar Surface Area
41.81
Polarizability
14.26
Molar Refractivity
41.84
LOG S
-2.02
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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