Molecule

ID:74175

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO₂S
Molecular Mass
185.24344
Exact Mass
185.0510496
Charge
0
InChI
InChI=1S/C8H11NO2S/c1-9(2)6-4-5-12-7(6)8(10)11-3/h4-5H,1-3H3
InChIKey
WHIJVPBRMXNSMT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1N(C)C
Isomeric Smiles
s1ccc(c1C(=O)OC)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.997648
LogD (pH = 7.4)
1.997648
Log P
1.997648
Molar Refractivity
49.4018
Polarizability
18.269705
Polar Surface Area
29.54
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
No Data Available
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Molecule Details
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References
Bioactivity
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