Molecule

ID:121077

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₃S
Molecular Mass
232.6442
Exact Mass
231.97094071
Charge
0
InChI
InChI=1S/C7H5ClN2O3S/c8-14(11,12)7-2-1-6(13-7)5-3-4-9-10-5/h1-4H,(H,9,10)
InChIKey
FCVPAGYFRDXMSS-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(o1)c1ccn[nH]1
Isomeric Smiles
S(=O)(=O)(c1oc(c2[nH]ncc2)cc1)Cl
Calculated Properties
JChem
Acid pKa
10.096018
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9404516
LogD (pH = 7.4)
0.9396443
Log P
0.940497
Molar Refractivity
50.5975
Polarizability
21.101116
Polar Surface Area
75.96
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
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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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