Molecule

ID:33410

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₃S
Molecular Mass
271.72
Exact Mass
271.00699187
Charge
0
InChI
InChI=1S/C11H10ClNO3S/c1-2-15-10(14)6-17-11-13-8-5-7(12)3-4-9(8)16-11/h3-5H,2,6H2,1H3
InChIKey
BQHXRIVUWVRFII-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSc1nc2c(o1)ccc(c2)Cl
Isomeric Smiles
n1c(oc2c1cc(cc2)Cl)SCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9057286
LogD (pH = 7.4)
2.9057286
Log P
2.9057286
Molar Refractivity
65.51
Polarizability
26.940147
Polar Surface Area
52.33
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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