Molecule

ID:88790

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂
Molecular Mass
108.14112
Exact Mass
108.06874827
Charge
0
InChI
InChI=1S/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2
InChIKey
ZWETXQBHVRWLPW-UHFFFAOYSA-N
Canonic Smiles
C1Cn2c(C1)ncc2
Isomeric Smiles
n1c2n(cc1)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.5592318
LogD (pH = 7.4)
0.24381395
Log P
0.42851955
Molar Refractivity
31.2455
Polarizability
11.776949
Polar Surface Area
17.82
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
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References
Bioactivity
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