Molecule
ID:124928
General Information
Molecular Formula
C₁₂H₁₀ClNO₃S
Molecular Mass
283.7307
Exact Mass
283.00699187
Charge
0
InChI
InChI=1S/C12H10ClNO3S/c13-18(15,16)10-5-3-8(4-6-10)11-7-14-12(17-11)9-1-2-9/h3-7,9H,1-2H2
InChIKey
VBNBVYARAONGQF-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)c1cnc(o1)C1CC1
Isomeric Smiles
S(=O)(=O)(c1ccc(c2oc(nc2)C2CC2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.33151
LogD (pH = 7.4)
2.3315275
Log P
2.3315277
Molar Refractivity
67.8152
Polarizability
28.028505
Polar Surface Area
60.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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