Molecule

ID:60556

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClNO₃
Molecular Mass
247.71852
Exact Mass
247.09752112
Charge
0
InChI
InChI=1S/C11H18ClNO3/c1-2-16-11(15)9-4-7-13(8-5-9)10(14)3-6-12/h9H,2-8H2,1H3
InChIKey
RQAVOJRSNJZSIB-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)N1CCC(CC1)C(=O)OCC
Isomeric Smiles
N1(C(=O)CCCl)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76723295
LogD (pH = 7.4)
0.767233
Log P
0.767233
Molar Refractivity
61.6115
Polarizability
24.143778
Polar Surface Area
46.61
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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