Molecule

ID:46848

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClNO₃
Molecular Mass
251.75028
Exact Mass
251.12882125
Charge
0
InChI
InChI=1S/C11H21NO3.ClH/c1-14-11(13)5-8-15-7-4-10-3-2-6-12-9-10;/h10,12H,2-9H2,1H3;1H
InChIKey
ZUXZRTAVKKRNIV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCOCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(CCOCCC1CNCCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6999552
LogD (pH = 7.4)
-2.3239124
Log P
0.53436714
Molar Refractivity
58.141
Polarizability
23.25672
Polar Surface Area
47.56
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
No Data Available
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Molecule Details
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References
Bioactivity
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