Molecule

ID:74690

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNO₅S₂
Molecular Mass
309.74652
Exact Mass
308.95324204
Charge
0
InChI
InChI=1S/C9H8ClNO5S2/c1-11-7-3-2-6(18(10,15)16)4-8(7)17(13,14)5-9(11)12/h2-4H,5H2,1H3
InChIKey
RYZBBRMPPLMVMW-UHFFFAOYSA-N
Canonic Smiles
O=C1CS(=O)(=O)c2c(N1C)ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
S1(=O)(=O)c2cc(ccc2N(C(=O)C1)C)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
9.634965
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.019498713
LogD (pH = 7.4)
0.017013036
Log P
0.019530497
Molar Refractivity
65.4266
Polarizability
26.756947
Polar Surface Area
88.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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