Molecule

ID:88694

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-3-9(4-2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKey
IVPIAQOAOCEOKM-UHFFFAOYSA-N
Canonic Smiles
CCC(N1CCNCC1)CC
Isomeric Smiles
N1(CCNCC1)C(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.973496
LogD (pH = 7.4)
-1.1891205
Log P
1.4726689
Molar Refractivity
48.9589
Polarizability
19.657892
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
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References
Bioactivity
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