Molecule

ID:76889

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO₅S
Molecular Mass
251.64424
Exact Mass
250.96552098
Charge
0
InChI
InChI=1S/C7H6ClNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14)
InChIKey
FHNZKRYMWHCXME-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(c(cc1O)Cl)S(=O)(=O)N
Isomeric Smiles
Oc1cc(c(cc1C(=O)O)S(=O)(=O)N)Cl
Calculated Properties
JChem
Acid pKa
2.4895494
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.7087394
LogD (pH = 7.4)
-2.3288162
Log P
1.1873388
Molar Refractivity
52.2578
Polarizability
20.77065
Polar Surface Area
117.69
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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