Molecule

ID:16956

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-9-5-8-10-6-3-2-4-7-10/h9H,2-8H2,1H3
InChIKey
KCAUHAHOMIRXAN-UHFFFAOYSA-N
Canonic Smiles
CNCCN1CCCCC1
Isomeric Smiles
N1(CCNC)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0733886
LogD (pH = 7.4)
-1.9867814
Log P
0.6761322
Molar Refractivity
44.8545
Polarizability
17.811394
Polar Surface Area
15.27
Rotatable Bonds
3
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
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References
Bioactivity
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