Molecule

ID:54288

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₃S
Molecular Mass
243.66684
Exact Mass
242.97569174
Charge
0
InChI
InChI=1S/C9H6ClNO3S/c10-15(12,13)8-3-1-7(2-4-8)9-5-11-6-14-9/h1-6H
InChIKey
QCGUTLAPXWBIMM-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)c1cnco1
Isomeric Smiles
O=S(=O)(c1ccc(c2cnco2)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4286617
LogD (pH = 7.4)
1.4286667
Log P
1.4286667
Molar Refractivity
55.9753
Polarizability
23.32611
Polar Surface Area
60.17
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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