Molecule

ID:86722

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NOS
Molecular Mass
298.18766
Exact Mass
296.97819027
Charge
0
InChI
InChI=1S/C13H9Cl2NOS/c1-8-2-4-10(5-3-8)18-13(17)11-6-9(14)7-16-12(11)15/h2-7H,1H3
InChIKey
YNFRFBZLYSIVLV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)SC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1cc(cc(c1Cl)C(=O)Sc1ccc(cc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.833251
LogD (pH = 7.4)
4.833251
Log P
4.833251
Molar Refractivity
77.8594
Polarizability
29.593897
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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