Molecule

ID:122061

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃S
Molecular Mass
238.263
Exact Mass
238.04121319
Charge
0
InChI
InChI=1S/C10H10N2O3S/c1-5-6(2)16-9-8(5)10(15)12(4-11-9)3-7(13)14/h4H,3H2,1-2H3,(H,13,14)
InChIKey
NBUKSDVQXRNITA-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)sc2c1c(=O)n(CC(=O)O)cn2
Isomeric Smiles
c12c(ncn(c1=O)CC(=O)O)sc(c2C)C
Calculated Properties
JChem
Acid pKa
3.687307
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.2836369
LogD (pH = 7.4)
-1.7803082
Log P
1.5321213
Molar Refractivity
60.2439
Polarizability
21.544205
Polar Surface Area
69.97
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
No Data Available
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Molecule Details
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References
Bioactivity
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