Molecule

ID:47107

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀ClNO₃
Molecular Mass
225.713
Exact Mass
225.11317119
Charge
0
InChI
InChI=1S/C9H19NO3.ClH/c1-11-4-5-12-6-7-13-9-2-3-10-8-9;/h9-10H,2-8H2,1H3;1H
InChIKey
IEJGZTDOJQLHBD-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCCOCCOC)C1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.619772
LogD (pH = 7.4)
-3.2387908
Log P
-0.38560313
Molar Refractivity
50.3905
Polarizability
20.199574
Polar Surface Area
39.72
Rotatable Bonds
7
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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