Molecule

ID:59701

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₃S
Molecular Mass
223.24836
Exact Mass
223.03031415
Charge
0
InChI
InChI=1S/C10H9NO3S/c1-6(10(13)14)11-9(12)7-4-2-3-5-8(7)15-11/h2-6H,1H3,(H,13,14)/t6-/m0/s1
InChIKey
OMDISURAFHPIHS-LURJTMIESA-N
Canonic Smiles
OC(=O)[C@@H](n1sc2c(c1=O)cccc2)C
Isomeric Smiles
n1(c(=O)c2c(s1)cccc2)[C@H](C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2300284
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6206822
LogD (pH = 7.4)
-1.8116524
Log P
1.6283559
Molar Refractivity
54.9837
Polarizability
21.56652
Polar Surface Area
57.61
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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