Molecule

ID:18016

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₄S
Molecular Mass
288.70746
Exact Mass
287.99715546
Charge
0
InChI
InChI=1S/C10H9ClN2O4S/c1-12-8-4-3-6(18(11,16)17)5-7(8)9(14)13(2)10(12)15/h3-5H,1-2H3
InChIKey
UJGIKWKPWLHWSA-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)c2cc(ccc2n(c1=O)C)S(=O)(=O)Cl
Isomeric Smiles
n1(c(=O)n(c2c(c1=O)cc(S(=O)(=O)Cl)cc2)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.78099275
LogD (pH = 7.4)
0.78099275
Log P
0.78099275
Molar Refractivity
65.9829
Polarizability
25.398495
Polar Surface Area
74.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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