Molecule

ID:22383

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₄S
Molecular Mass
273.69282
Exact Mass
272.98625642
Charge
0
InChI
InChI=1S/C10H8ClNO4S/c11-17(15,16)6-5-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKey
HCPVYBCAYPMANM-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCS(=O)(=O)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCS(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.70278615
LogD (pH = 7.4)
0.70278615
Log P
0.70278615
Molar Refractivity
62.4695
Polarizability
24.082453
Polar Surface Area
71.52
Rotatable Bonds
3
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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