Molecule
ID:122418
General Information
Molecular Formula
C₁₄H₁₂ClNO₄S
Molecular Mass
325.76738
Exact Mass
325.01755655
Charge
0
InChI
InChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)21(19,20)16-13(14(17)18)10-4-2-1-3-5-10/h1-9,13,16H,(H,17,18)/t13-/m0/s1
InChIKey
RCGHLRLGTZRRKK-ZDUSSCGKSA-N
Canonic Smiles
OC(=O)[C@H](c1ccccc1)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(N[C@H](C(=O)O)c1ccccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.0352972
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.3910789
LogD (pH = 7.4)
-0.6511972
Log P
2.82141
Molar Refractivity
78.3599
Polarizability
31.336292
Polar Surface Area
83.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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