Molecule

ID:50944

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO₃S
Molecular Mass
273.73588
Exact Mass
273.02264193
Charge
0
InChI
InChI=1S/C11H11NO3S.ClH/c1-2-15-11(14)9-10(13)12-7-5-3-4-6-8(7)16-9;/h3-6,9H,2H2,1H3,(H,12,13);1H
InChIKey
LMHOTBWXHJAXTB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1Sc2ccccc2NC1=O.Cl
Isomeric Smiles
C1(Sc2c(NC1=O)cccc2)C(=O)OCC.Cl
Calculated Properties
JChem
Acid pKa
6.803363
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.938459
LogD (pH = 7.4)
1.2661175
Log P
1.7261885
Molar Refractivity
62.7662
Polarizability
23.848175
Polar Surface Area
55.4
Rotatable Bonds
3
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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