Molecule

ID:8929

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c7-4-1-5-8-6-2-3-6/h6,8H,1-3,5H2
InChIKey
OZHWHTICSNFGBZ-UHFFFAOYSA-N
Canonic Smiles
N#CCCNC1CC1
Isomeric Smiles
N(CCC#N)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1318548
LogD (pH = 7.4)
-0.43948942
Log P
0.045630977
Molar Refractivity
31.6679
Polarizability
12.41968
Polar Surface Area
35.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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