Molecule

ID:10367

General Information
Structure
Molecular Formula
C₉H₆ClNO₂S₂
Molecular Mass
259.73244
Exact Mass
258.95284812
Charge
0
InChI
InChI=1S/C9H6ClNO2S2/c10-15(12,13)9-5-4-8(14-9)7-3-1-2-6-11-7/h1-6H
InChIKey
OGOMWPWAEIDEOU-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(s1)c1ccccn1
Isomeric Smiles
c1(ccc(s1)S(=O)(=O)Cl)c1ccccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.676627
LogD (pH = 7.4)
2.6780777
Log P
2.678096
Molar Refractivity
58.9093
Polarizability
25.134981
Polar Surface Area
47.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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