Molecule

ID:122319

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c1-8(2)7-10-5-3-9-4-6-10/h9H,1,3-7H2,2H3
InChIKey
KFKOZGPFYSPNQZ-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CN1CCNCC1
Isomeric Smiles
N1(CC(=C)C)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7078333
LogD (pH = 7.4)
-1.3505052
Log P
0.6288522
Molar Refractivity
44.1882
Polarizability
17.577856
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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