Molecule

ID:87929

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c9-7-3-5-10(6-4-7)8-1-2-8/h7-8H,1-6,9H2
InChIKey
XQRNOQYMHPJDCY-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C1CC1
Isomeric Smiles
N1(C2CC2)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.919547
LogD (pH = 7.4)
-3.847674
Log P
-0.1330882
Molar Refractivity
42.5811
Polarizability
17.072641
Polar Surface Area
29.26
Rotatable Bonds
1
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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