Molecule

ID:118852

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NOS
Molecular Mass
193.26544
Exact Mass
193.05613498
Charge
0
InChI
InChI=1S/C10H11NOS/c1-3-12-8-4-5-9-10(6-8)13-7(2)11-9/h4-6H,3H2,1-2H3
InChIKey
PKRZJVQWLOOWHD-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)sc(n2)C
Isomeric Smiles
n1c(sc2c1ccc(c2)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4335418
LogD (pH = 7.4)
2.4356463
Log P
2.4356732
Molar Refractivity
52.7812
Polarizability
21.733004
Polar Surface Area
22.12
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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