Molecule

ID:8894

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂
Molecular Mass
124.18358
Exact Mass
124.10004839
Charge
0
InChI
InChI=1S/C7H12N2/c8-4-3-7-9-5-1-2-6-9/h1-3,5-7H2
InChIKey
PDVYZQGNSCSKPG-UHFFFAOYSA-N
Canonic Smiles
N#CCCN1CCCC1
Isomeric Smiles
N#CCCN1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.695385
LogD (pH = 7.4)
-0.029191922
Log P
0.36891183
Molar Refractivity
37.2924
Polarizability
14.26212
Polar Surface Area
27.03
Rotatable Bonds
2
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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