Molecule

ID:72171

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-5(2)6-3-7-8-4-6/h3-5H,1-2H3,(H,7,8)
InChIKey
WVMBISZHWMJNNM-UHFFFAOYSA-N
Canonic Smiles
CC(c1c[nH]nc1)C
Isomeric Smiles
c1(c[nH]nc1)C(C)C
Calculated Properties
JChem
Acid pKa
15.583871
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5222769
LogD (pH = 7.4)
1.5224369
Log P
1.522439
Molar Refractivity
33.9362
Polarizability
12.579658
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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