Molecule

ID:63528

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-5-7-3-2-4-9-8(7)10-6/h2-5H,1H3,(H,9,10)
InChIKey
XDHFUUVUHNOJEW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c([nH]1)nccc2
Isomeric Smiles
c12[nH]c(C)cc1cccn2
Calculated Properties
JChem
Acid pKa
15.943593
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3825561
LogD (pH = 7.4)
1.4208437
Log P
1.4213587
Molar Refractivity
40.0899
Polarizability
15.760748
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
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Molecule Details
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References
Bioactivity
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