Molecule
ID:66979
General Information
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3,(H,9,10)
InChIKey
FWOPJXVQGMZKEP-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c2c1cccc2
Isomeric Smiles
[nH]1nc(c2ccccc12)C
Calculated Properties
JChem
Acid pKa
14.332151
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4274906
LogD (pH = 7.4)
1.4276755
Log P
1.4276779
Molar Refractivity
40.6646
Polarizability
16.45953
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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