Molecule

ID:34452

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNO₃S
Molecular Mass
297.75728
Exact Mass
297.02264193
Charge
0
InChI
InChI=1S/C13H12ClNO3S/c1-18-11-6-10(15)7-13(8-11)19(16,17)12-4-2-9(14)3-5-12/h2-8H,15H2,1H3
InChIKey
KEVFBGRKISZETC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)cc(c1)S(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)Cl)S(=O)(=O)c1cc(cc(c1)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.5454416
LogD (pH = 7.4)
2.5455267
Log P
2.545528
Molar Refractivity
75.5586
Polarizability
29.939247
Polar Surface Area
69.39
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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