Molecule

ID:70186

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
MKBBSFGKFMQPPC-UHFFFAOYSA-N
Canonic Smiles
CCCc1ncc[nH]1
Isomeric Smiles
c1(ncc[nH]1)CCC
Calculated Properties
JChem
Acid pKa
13.770746
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.10801208
LogD (pH = 7.4)
0.8714713
Log P
1.1229451
Molar Refractivity
32.6814
Polarizability
12.586735
Polar Surface Area
28.68
Rotatable Bonds
2
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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