Molecule

ID:92944

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO₃S
Molecular Mass
204.6308
Exact Mass
203.9647927
Charge
0
InChI
InChI=1S/C7H5ClO3S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2
InChIKey
ZHPVCHMDVVGUMV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1scc2c1OCCO2
Isomeric Smiles
O=C(c1c2OCCOc2cs1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5901723
LogD (pH = 7.4)
1.5901723
Log P
1.5901723
Molar Refractivity
45.02
Polarizability
17.266354
Polar Surface Area
35.53
Rotatable Bonds
1
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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