Molecule

ID:34905

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-3-2-4-7-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
InChIKey
RLAZPAQEVQDPHR-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1[nH]nc2
Isomeric Smiles
n1[nH]c2c(c1)cccc2C
Calculated Properties
JChem
Acid pKa
13.738774
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.809677
LogD (pH = 7.4)
1.8097245
Log P
1.8097291
Molar Refractivity
41.1143
Polarizability
16.461637
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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