Molecule
ID:10342
General Information
Molecular Formula
C₁₂H₁₀ClNO₃S₂
Molecular Mass
315.7957
Exact Mass
314.97906287
Charge
0
InChI
InChI=1S/C12H10ClNO3S2/c13-19(16,17)11-7-6-10(18-11)8-14-12(15)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKey
VGSWVDWOXYTAPG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)NCc1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
c1cc(sc1S(=O)(=O)Cl)CNC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.734497
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7972155
LogD (pH = 7.4)
2.7972157
Log P
2.7972157
Molar Refractivity
74.8897
Polarizability
29.420431
Polar Surface Area
63.24
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
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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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