Molecule

ID:78792

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NOS
Molecular Mass
195.28132
Exact Mass
195.07178504
Charge
0
InChI
InChI=1S/C10H13NOS/c1-7-4-3-5-8(2)10(7)11-9(12)6-13/h3-5,13H,6H2,1-2H3,(H,11,12)
InChIKey
SDOBXTGJZQYLIQ-UHFFFAOYSA-N
Canonic Smiles
SCC(=O)Nc1c(C)cccc1C
Isomeric Smiles
N(c1c(cccc1C)C)C(=O)CS
Calculated Properties
JChem
Acid pKa
9.447237
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.464319
LogD (pH = 7.4)
2.4607666
Log P
2.4643643
Molar Refractivity
58.8326
Polarizability
21.794783
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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