Molecule

ID:103452

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
InChIKey
HKOOXMFOFWEVGF-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1
Isomeric Smiles
NNc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.36
LogD (pH = 5.5)
1.21
Log P
1.36
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.14
Polar Surface Area
38.05
Polarizability
11.74
Molar Refractivity
35.76
LOG S
-1.16
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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