Molecule

ID:72231

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₃S
Molecular Mass
257.69342
Exact Mass
256.9913418
Charge
0
InChI
InChI=1S/C10H8ClNO3S/c1-15-8-4-5-9(16(11,13)14)7-3-2-6-12-10(7)8/h2-6H,1H3
InChIKey
CDUVKSFUNYBONL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1nccc2)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c2c(nccc2)c(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9195312
LogD (pH = 7.4)
1.9195322
Log P
1.9195322
Molar Refractivity
60.6367
Polarizability
25.510422
Polar Surface Area
56.26
Rotatable Bonds
2
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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