Molecule

ID:45797

General Information
Structure
Molecular Formula
C₁₁H₂₂ClNO₂
Molecular Mass
235.75088
Exact Mass
235.13390663
Charge
0
InChI
InChI=1S/C11H21NO2.ClH/c1-9(2)7-11(13)14-8-10-3-5-12-6-4-10;/h9-10,12H,3-8H2,1-2H3;1H
InChIKey
IEUOGSRLKDVTLL-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)OCC1CCNCC1)C.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.77239
LogD (pH = 7.4)
-1.3116184
Log P
1.4590309
Molar Refractivity
56.1637
Polarizability
22.55125
Polar Surface Area
38.33
Rotatable Bonds
5
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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