Molecule

ID:82202

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₄S
Molecular Mass
339.79396
Exact Mass
339.03320661
Charge
0
InChI
InChI=1S/C15H14ClNO4S/c1-20-14(18)12-11(10-5-3-2-4-6-10)9-22-13(12)17-15(19)21-8-7-16/h2-6,9H,7-8H2,1H3,(H,17,19)
InChIKey
NFSQIHPHZKDJTI-UHFFFAOYSA-N
Canonic Smiles
ClCCOC(=O)Nc1scc(c1C(=O)OC)c1ccccc1
Isomeric Smiles
N(c1c(c(cs1)c1ccccc1)C(=O)OC)C(=O)OCCCl
Calculated Properties
JChem
Acid pKa
11.071939
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0918765
LogD (pH = 7.4)
4.0917897
Log P
4.0918775
Molar Refractivity
85.3151
Polarizability
33.65248
Polar Surface Area
64.63
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
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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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