Molecule

ID:26841

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈N₂
Molecular Mass
142.24192
Exact Mass
142.14699859
Charge
0
InChI
InChI=1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3
InChIKey
YKSVXVKIYYQWBB-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCNCC1
Isomeric Smiles
N1(CCCC)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.598865
LogD (pH = 7.4)
-1.339233
Log P
0.9781401
Molar Refractivity
44.6171
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
References
Bioactivity
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