Molecule

ID:121747

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃S
Molecular Mass
238.263
Exact Mass
238.04121319
Charge
0
InChI
InChI=1S/C10H10N2O3S/c1-2-14-10(13)6-15-7-3-4-8-9(5-7)12-16-11-8/h3-5H,2,6H2,1H3
InChIKey
ARPTWHNULXIGDP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1ccc2c(c1)nsn2
Isomeric Smiles
s1nc2c(n1)ccc(c2)OCC(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8233063
LogD (pH = 7.4)
2.8233063
Log P
2.8233063
Molar Refractivity
62.1403
Polarizability
23.206842
Polar Surface Area
60.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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