Molecule

ID:66587

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₂S
Molecular Mass
191.63534
Exact Mass
190.98077712
Charge
0
InChI
InChI=1S/C6H6ClNO2S/c1-10-6(9)4-2-3(8)5(7)11-4/h2H,8H2,1H3
InChIKey
RUAIJHHRCIHFEV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(c(s1)Cl)N
Isomeric Smiles
c1(cc(c(s1)Cl)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8307189
LogD (pH = 7.4)
1.8307189
Log P
1.8307189
Molar Refractivity
43.6383
Polarizability
16.638569
Polar Surface Area
52.32
Rotatable Bonds
2
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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