Molecule

ID:34465

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₃S
Molecular Mass
260.69736
Exact Mass
260.00224084
Charge
0
InChI
InChI=1S/C9H8N2O3S.ClH/c1-2-14-8(13)6-5-10-9-11(7(6)12)3-4-15-9;/h3-5H,2H2,1H3;1H
InChIKey
JHPMDNVLECWGDG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1=O)ccs2.Cl
Isomeric Smiles
c12ncc(c(=O)n1ccs2)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2104923
LogD (pH = 7.4)
1.2104923
Log P
1.2104923
Molar Refractivity
55.4073
Polarizability
21.239866
Polar Surface Area
58.97
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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