Molecule

ID:77618

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₃S
Molecular Mass
283.7307
Exact Mass
283.00699187
Charge
0
InChI
InChI=1S/C12H10ClNO3S/c1-2-17-12(16)9-10(15)14-11(18-9)7-3-5-8(13)6-4-7/h3-6,15H,2H2,1H3
InChIKey
GTTLQUWXZGMKGX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1O)c1ccc(cc1)Cl
Isomeric Smiles
n1c(c2ccc(cc2)Cl)sc(c1O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.37221
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.694464
LogD (pH = 7.4)
4.6940155
Log P
4.69447
Molar Refractivity
80.0252
Polarizability
27.210552
Polar Surface Area
59.42
Rotatable Bonds
4
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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