Molecule

ID:10443

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
InChIKey
ZCBIFHNDZBSCEP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cc[nH]2
Isomeric Smiles
c1(ccc2c(c1)cc[nH]2)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.24
LogD (pH = 5.5)
1.23
Log P
1.24
Rotatable Bonds
0
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
3.79
Polar Surface Area
41.81
Polarizability
14.30
Molar Refractivity
41.84
LOG S
-2.11
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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