Molecule

ID:79117

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₃S
Molecular Mass
283.7307
Exact Mass
283.00699187
Charge
0
InChI
InChI=1S/C12H10ClNO3S/c1-9-4-6-10(7-5-9)18(15,16)17-11-3-2-8-14-12(11)13/h2-8H,1H3
InChIKey
OROQKOBASGJYIO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)Oc1cccnc1Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)Oc1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3100412
LogD (pH = 7.4)
3.3100426
Log P
3.3100426
Molar Refractivity
69.6908
Polarizability
27.593903
Polar Surface Area
56.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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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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