Molecule

ID:33720

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)
InChIKey
HUVAAOZUPLEYBH-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1C)C
Isomeric Smiles
n1[nH]c(c(c1C)C)C
Calculated Properties
JChem
Acid pKa
16.568165
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.11783
LogD (pH = 7.4)
1.1217327
Log P
1.1217827
Molar Refractivity
34.5278
Polarizability
12.420765
Polar Surface Area
28.68
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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