Molecule

ID:83144

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClNO₃
Molecular Mass
233.69194
Exact Mass
233.08187106
Charge
0
InChI
InChI=1S/C10H16ClNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
InChIKey
QEHUOCAVXLYCAU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)CCl
Isomeric Smiles
N1(C(=O)CCl)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.53022027
LogD (pH = 7.4)
0.53022027
Log P
0.53022027
Molar Refractivity
56.9121
Polarizability
22.323002
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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