Molecule

ID:124779

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₂S₂
Molecular Mass
248.7098
Exact Mass
247.94809709
Charge
0
InChI
InChI=1S/C7H5ClN2O2S2/c8-14(11,12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)
InChIKey
DUXZTTCOHYHPOL-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(s1)c1ccn[nH]1
Isomeric Smiles
S(=O)(=O)(c1sc(c2[nH]ncc2)cc1)Cl
Calculated Properties
JChem
Acid pKa
12.846149
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7340451
LogD (pH = 7.4)
1.734101
Log P
1.7341033
Molar Refractivity
55.0031
Polarizability
22.88956
Polar Surface Area
62.82
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
References
Bioactivity
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