Molecule

ID:82162

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₄S
Molecular Mass
263.698
Exact Mass
263.00190649
Charge
0
InChI
InChI=1S/C9H10ClNO4S/c1-14-8(12)7-6(2-5-16-7)11-9(13)15-4-3-10/h2,5H,3-4H2,1H3,(H,11,13)
InChIKey
PIXYZJOSPTUMMB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1NC(=O)OCCCl
Isomeric Smiles
N(c1c(C(=O)OC)scc1)C(=O)OCCCl
Calculated Properties
JChem
Acid pKa
11.856413
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4110954
LogD (pH = 7.4)
2.411081
Log P
2.4110956
Molar Refractivity
60.8031
Polarizability
22.912739
Polar Surface Area
64.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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