Molecule

ID:40520

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S
Molecular Mass
207.24896
Exact Mass
207.03539953
Charge
0
InChI
InChI=1S/C10H9NO2S/c1-13-10(12)9-8(4-7-14-9)11-5-2-3-6-11/h2-7H,1H3
InChIKey
FYNQCKPHPLFYDN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1n1cccc1
Isomeric Smiles
c1(c(n2cccc2)ccs1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8511229
LogD (pH = 7.4)
2.8511229
Log P
2.8511229
Molar Refractivity
64.7256
Polarizability
21.398575
Polar Surface Area
31.23
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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