Molecule

ID:59997

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃S
Molecular Mass
238.263
Exact Mass
238.04121319
Charge
0
InChI
InChI=1S/C10H10N2O3S/c1-14-7-3-5-6(4-8(7)15-2)11-10(16)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,16)
InChIKey
AEUUSCYHFMYASX-UHFFFAOYSA-N
Canonic Smiles
COc1cc2nc(S)[nH]c(=O)c2cc1OC
Isomeric Smiles
[nH]1c(=O)c2c(nc1S)cc(c(c2)OC)OC
Calculated Properties
JChem
Acid pKa
6.2706304
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3839496
LogD (pH = 7.4)
0.5799188
Log P
1.4450094
Molar Refractivity
63.5846
Polarizability
23.160501
Polar Surface Area
59.92
Rotatable Bonds
2
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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