Molecule

ID:117831

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₂O₃
Molecular Mass
262.73316
Exact Mass
262.10842016
Charge
0
InChI
InChI=1S/C11H19ClN2O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8H2,1-3H3
InChIKey
PUGUQINMNYINPK-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCN(C(=O)CCl)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7016723
LogD (pH = 7.4)
0.7016723
Log P
0.7016723
Molar Refractivity
64.763
Polarizability
25.308144
Polar Surface Area
49.85
Rotatable Bonds
3
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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