Molecule

ID:40595

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂S
Molecular Mass
234.2743
Exact Mass
234.04629857
Charge
0
InChI
InChI=1S/C11H10N2O2S/c1-15-11(14)7-16-10-6-12-8-4-2-3-5-9(8)13-10/h2-6H,7H2,1H3
InChIKey
FFNDQVKOWUSXQC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSc1cnc2c(n1)cccc2
Isomeric Smiles
n1c(SCC(=O)OC)cnc2c1cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8342829
LogD (pH = 7.4)
1.8342963
Log P
1.8342965
Molar Refractivity
61.5241
Polarizability
25.406317
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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