Molecule

ID:89148

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(11)6-4-2-3-5-7(6)14-9/h2-5H,11H2,1H3
InChIKey
VLHHEYMZLXKSQO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1N)cccc2
Isomeric Smiles
s1c2c(cccc2)c(c1C(=O)OC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.806261
LogD (pH = 7.4)
2.806261
Log P
2.806261
Molar Refractivity
55.9079
Polarizability
22.0559
Polar Surface Area
52.32
Rotatable Bonds
2
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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