Molecule

ID:46850

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₃
Molecular Mass
223.69712
Exact Mass
223.09752112
Charge
0
InChI
InChI=1S/C9H17NO3.ClH/c1-12-9(11)3-5-13-7-8-2-4-10-6-8;/h8,10H,2-7H2,1H3;1H
InChIKey
NBDGFRLKSHVIPK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCOCC1CNCC1.Cl
Isomeric Smiles
C(=O)(CCOCC1CNCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5536914
LogD (pH = 7.4)
-3.4470818
Log P
-0.31321347
Molar Refractivity
48.8402
Polarizability
19.587364
Polar Surface Area
47.56
Rotatable Bonds
6
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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