Molecule

ID:79973

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃Cl₂NO₃S
Molecular Mass
358.23962
Exact Mass
356.99931964
Charge
0
InChI
InChI=1S/C15H13Cl2NO3S/c1-10-2-4-12(5-3-10)22(20,21)18-7-6-11(9-18)14(19)13-8-15(13,16)17/h2-7,9,13H,8H2,1H3
InChIKey
NUFNCOOBPCPYGV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)C1CC1(Cl)Cl
Isomeric Smiles
S(=O)(=O)(n1cc(C(=O)C2C(C2)(Cl)Cl)cc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
11.975248
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5716884
LogD (pH = 7.4)
3.5716772
Log P
3.5716887
Molar Refractivity
86.8487
Polarizability
33.966183
Polar Surface Area
56.14
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
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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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