Molecule

ID:33689

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-3-8-5-4-6(2)7-8/h4-5H,3H2,1-2H3
InChIKey
FSWUGFSHWYDKTO-UHFFFAOYSA-N
Canonic Smiles
CCn1ccc(n1)C
Isomeric Smiles
n1n(ccc1C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.88819087
LogD (pH = 7.4)
0.88927025
Log P
0.889284
Molar Refractivity
44.3015
Polarizability
12.49676
Polar Surface Area
17.82
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
No Data Available
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Molecule Details
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References
Bioactivity
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