Molecule

ID:11586

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2
InChIKey
ZWAQJGHGPPDZSF-UHFFFAOYSA-N
Canonic Smiles
C=CCN1CCNCC1
Isomeric Smiles
N1(CC=C)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8864236
LogD (pH = 7.4)
-1.5334837
Log P
0.38549092
Molar Refractivity
39.9062
Polarizability
15.7311125
Polar Surface Area
15.27
Rotatable Bonds
2
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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