Molecule

ID:82132

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁Cl₂NO₃
Molecular Mass
228.07314
Exact Mass
227.01159858
Charge
0
InChI
InChI=1S/C7H11Cl2NO3/c8-4-6(11)10-2-1-3-13-7(12)5-9/h1-5H2,(H,10,11)
InChIKey
JFAHEVZUCQYTRF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCCCOC(=O)CCl
Isomeric Smiles
O=C(NCCCOC(=O)CCl)CCl
Calculated Properties
JChem
Acid pKa
12.250976
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07905842
LogD (pH = 7.4)
0.079053074
Log P
0.0790585
Molar Refractivity
49.1782
Polarizability
19.503416
Polar Surface Area
55.4
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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