Molecule
ID:56181
General Information
Molecular Formula
C₁₀H₆Cl₂N₂O₃S
Molecular Mass
305.13724
Exact Mass
303.94761842
Charge
0
InChI
InChI=1S/C10H6Cl2N2O3S/c11-7-2-1-6(5-9(7)18(12,16)17)8-3-4-10(15)14-13-8/h1-5H,(H,14,15)
InChIKey
IDOWETBVRCBCDS-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc(n[nH]1)c1ccc(c(c1)S(=O)(=O)Cl)Cl
Isomeric Smiles
c1c(c(ccc1c1ccc(=O)[nH]n1)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
10.34501
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9102243
LogD (pH = 7.4)
1.9097939
Log P
1.9102303
Molar Refractivity
69.7024
Polarizability
26.768904
Polar Surface Area
75.6
Rotatable Bonds
2
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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