Molecule

ID:29855

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂O₄S
Molecular Mass
266.70194
Exact Mass
266.01280552
Charge
0
InChI
InChI=1S/C8H10N2O4S.ClH/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4;/h3H2,1-2H3,(H2,9,10);1H
InChIKey
ZONFFTSIUQUDSI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1nc(sc1C(=O)OC)N.Cl
Isomeric Smiles
Nc1sc(c(n1)CC(=O)OC)C(=O)OC.Cl
Calculated Properties
JChem
Acid pKa
15.129973
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.79252535
LogD (pH = 7.4)
0.7927686
Log P
0.7927717
Molar Refractivity
52.9542
Polarizability
20.199903
Polar Surface Area
91.51
Rotatable Bonds
5
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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