Molecule

ID:10704

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂
Molecular Mass
112.17288
Exact Mass
112.10004839
Charge
0
InChI
InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h3-4,6H2,1-2H3
InChIKey
HCLFLZTVKYHLCF-UHFFFAOYSA-N
Canonic Smiles
N#CCCCN(C)C
Isomeric Smiles
N(CCCC#N)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.748903
LogD (pH = 7.4)
-1.0336891
Log P
0.2517756
Molar Refractivity
34.5064
Polarizability
13.150498
Polar Surface Area
27.03
Rotatable Bonds
3
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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