Molecule

ID:83740

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₄NOS
Molecular Mass
393.11506
Exact Mass
390.91589563
Charge
0
InChI
InChI=1S/C15H9Cl4NOS/c1-8-2-4-9(5-3-8)10(21)6-7-22-13-11(16)14(18)20-15(19)12(13)17/h2-7H,1H3
InChIKey
VJANAEOFJRSBFZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/Sc1c(Cl)c(Cl)nc(c1Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)S/C=C/C(=O)c1ccc(cc1)C)Cl)Cl
Calculated Properties
JChem
Acid pKa
15.044512
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.050758
LogD (pH = 7.4)
6.050758
Log P
6.050758
Molar Refractivity
98.1089
Polarizability
36.980995
Polar Surface Area
29.96
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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