Molecule

ID:81014

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂S
Molecular Mass
234.2743
Exact Mass
234.04629857
Charge
0
InChI
InChI=1S/C11H10N2O2S/c1-2-15-11(14)10-9(12-13-16-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
MGNPWNGXBGYBQJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1snnc1c1ccccc1
Isomeric Smiles
n1nc(c(s1)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0877833
LogD (pH = 7.4)
3.0877836
Log P
3.0877836
Molar Refractivity
61.6782
Polarizability
24.500675
Polar Surface Area
52.08
Rotatable Bonds
4
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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