Molecule

ID:109827

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂
Molecular Mass
112.17288
Exact Mass
112.10004839
Charge
0
InChI
InChI=1S/C6H12N2/c1-2-3-5-8-6-4-7/h8H,2-3,5-6H2,1H3
InChIKey
SPMMZKAWNAKPJM-UHFFFAOYSA-N
Canonic Smiles
CCCCNCC#N
Isomeric Smiles
CCCCNCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.058107093
LogD (pH = 7.4)
0.65049285
Log P
0.6669527
Molar Refractivity
33.6309
Polarizability
13.150498
Polar Surface Area
35.82
Rotatable Bonds
4
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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