Molecule

ID:41318

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₃S
Molecular Mass
273.73588
Exact Mass
273.02264193
Charge
0
InChI
InChI=1S/C11H12ClNO3S/c12-9-3-1-8(2-4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKey
YRBOSRDVVKCJCS-UHFFFAOYSA-N
Canonic Smiles
O=C(CSCC(=O)O)NCc1ccc(cc1)Cl
Isomeric Smiles
C(=O)(NCc1ccc(Cl)cc1)CSCC(=O)O
Calculated Properties
JChem
Acid pKa
3.8801668
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.32268772
LogD (pH = 7.4)
-1.9215953
Log P
1.3021296
Molar Refractivity
67.4924
Polarizability
26.26338
Polar Surface Area
66.4
Rotatable Bonds
6
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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