Molecule

ID:117143

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c9-5-1-2-6-10-7-3-4-8-10/h3-9H2
InChIKey
JSKHCXNCPDYNFH-UHFFFAOYSA-N
Canonic Smiles
NCC#CCN1CCCC1
Isomeric Smiles
C(#CCN)CN1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.5600233
LogD (pH = 7.4)
-2.4555984
Log P
0.27282712
Molar Refractivity
44.0423
Polarizability
16.705782
Polar Surface Area
29.26
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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