Molecule

ID:117141

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c1-3-10(4-2)8-6-5-7-9/h3-4,7-9H2,1-2H3
InChIKey
IGUGEIWRQTZQPG-UHFFFAOYSA-N
Canonic Smiles
CCN(CC#CCN)CC
Isomeric Smiles
C(#CCN)CN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.27872
LogD (pH = 7.4)
-2.1855595
Log P
0.58064556
Molar Refractivity
45.9985
Polarizability
17.445187
Polar Surface Area
29.26
Rotatable Bonds
5
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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