Molecule

ID:68600

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-5-3-2-4-8-6(5)7/h2-4H,1H3,(H2,7,8)
InChIKey
RGDQRXPEZUNWHX-UHFFFAOYSA-N
Canonic Smiles
Cc1cccnc1N
Isomeric Smiles
c1(c(cccn1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2909684
LogD (pH = 7.4)
0.7896611
Log P
1.0345263
Molar Refractivity
33.9562
Polarizability
12.334241
Polar Surface Area
38.91
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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