Molecule

ID:85942

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
ULKLGIFJWFIQFF-UHFFFAOYSA-N
Canonic Smiles
CCc1[nH]cc(n1)C
Isomeric Smiles
[nH]1c(nc(c1)C)CC
Calculated Properties
JChem
Acid pKa
15.173243
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5305563
LogD (pH = 7.4)
0.5847014
Log P
0.80974656
Molar Refractivity
32.6719
Polarizability
12.5100975
Polar Surface Area
28.68
Rotatable Bonds
1
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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