Molecule

ID:24273

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-3-7(2)9-6-4-5-8/h7,9H,3-4,6H2,1-2H3
InChIKey
RZEBBRPGHWEYBX-UHFFFAOYSA-N
Canonic Smiles
CC(NCCC#N)CC
Isomeric Smiles
N#CCCNC(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7668959
LogD (pH = 7.4)
-0.04520686
Log P
0.8759718
Molar Refractivity
38.1481
Polarizability
14.99472
Polar Surface Area
35.82
Rotatable Bonds
4
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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