Molecule

ID:45058

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S
Molecular Mass
207.24896
Exact Mass
207.03539953
Charge
0
InChI
InChI=1S/C10H9NO2S/c1-2-13-10(12)8-6-7-4-3-5-11-9(7)14-8/h3-6H,2H2,1H3
InChIKey
LDFDUMUSLKWQIQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(s1)nccc2
Isomeric Smiles
c1(sc2c(c1)cccn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4913988
LogD (pH = 7.4)
2.4917798
Log P
2.4917846
Molar Refractivity
53.7518
Polarizability
21.232708
Polar Surface Area
39.19
Rotatable Bonds
3
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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