Molecule
ID:71649
General Information
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-2-3-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKey
YAXKXMVDJJMGRY-UHFFFAOYSA-N
Canonic Smiles
CCCc1c[nH]nc1
Isomeric Smiles
[nH]1cc(cn1)CCC
Calculated Properties
JChem
Acid pKa
15.671165
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6798176
LogD (pH = 7.4)
1.6799864
Log P
1.6799885
Molar Refractivity
33.9886
Polarizability
12.580176
Polar Surface Area
28.68
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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