Molecule

ID:48149

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂
Molecular Mass
227.1745
Exact Mass
226.10035401
Charge
0
InChI
InChI=1S/C9H18N2.2ClH/c1-2-6-11(5-1)8-9-3-4-10-7-9;;/h9-10H,1-8H2;2*1H
InChIKey
OGVIZVCBDAZJNF-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)CN1CCCC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCC2)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.116623
LogD (pH = 7.4)
-4.4306054
Log P
0.29731393
Molar Refractivity
47.8037
Polarizability
18.918522
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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