Molecule

ID:41017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NO₃S
Molecular Mass
294.15436
Exact Mass
292.96801951
Charge
0
InChI
InChI=1S/C10H9Cl2NO3S/c11-7-2-1-6(3-8(7)12)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKey
SJOZNQARCZFTGS-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(c(c1)Cl)Cl)CSCC(=O)O
Isomeric Smiles
c1(cc(NC(=O)CSCC(=O)O)ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
3.5010953
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.20864794
LogD (pH = 7.4)
-1.1757889
Log P
2.1992695
Molar Refractivity
69.243
Polarizability
26.407738
Polar Surface Area
66.4
Rotatable Bonds
5
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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