Molecule

ID:89872

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
InChIKey
QUXLCYFNVNNRBE-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)N
Isomeric Smiles
n1c(cccc1C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0738118
LogD (pH = 7.4)
0.24519125
Log P
0.6524751
Molar Refractivity
33.5065
Polarizability
12.334415
Polar Surface Area
38.91
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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