Molecule

ID:82706

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₃NO₂S
Molecular Mass
312.60002
Exact Mass
310.93413254
Charge
0
InChI
InChI=1S/C10H8Cl3NO2S/c1-17(16,7-5-3-2-4-6-7)14-10(15)8(11)9(12)13/h2-6H,1H3
InChIKey
RETGPYAECCZLSQ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C(Cl)Cl)Cl)N=S(=O)(c1ccccc1)C
Isomeric Smiles
S(=NC(=O)C(=C(Cl)Cl)Cl)(=O)(c1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2622945
LogD (pH = 7.4)
2.2622945
Log P
2.2622945
Molar Refractivity
81.3232
Polarizability
28.019648
Polar Surface Area
46.5
Rotatable Bonds
2
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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