Molecule

ID:27377

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂S
Molecular Mass
256.70866
Exact Mass
256.00732622
Charge
0
InChI
InChI=1S/C10H9ClN2O2S/c1-15-5-2-3-6-7(4-5)16-9(8(6)11)10(14)13-12/h2-4H,12H2,1H3,(H,13,14)
InChIKey
SXPAHRIQWOIDAN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc2c(c1Cl)ccc(c2)OC
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2)OC)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.858748
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9817275
LogD (pH = 7.4)
1.9822401
Log P
1.9822481
Molar Refractivity
64.0127
Polarizability
25.22271
Polar Surface Area
64.35
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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