Molecule

ID:111389

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey
YWWSWEIXJXYQJB-UHFFFAOYSA-N
Canonic Smiles
CCNC/C=C/CNCC
Isomeric Smiles
CCNC/C=C/CNCC
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.728588
LogD (pH = 7.4)
-4.019039
Log P
0.6835497
Molar Refractivity
47.2336
Polarizability
18.320808
Polar Surface Area
24.06
Rotatable Bonds
6
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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