Molecule

ID:77573

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆ClNO₄S
Molecular Mass
341.80984
Exact Mass
341.04885668
Charge
0
InChI
InChI=1S/C15H16ClNO4S/c1-4-21-15(18)13-10(2)17(12-8-6-5-7-9-12)11(3)14(13)22(16,19)20/h5-9H,4H2,1-3H3
InChIKey
BVFOSADNTRNLQQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)n(c(c1S(=O)(=O)Cl)C)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(c(S(=O)(=O)Cl)c(c1C)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0534
LogD (pH = 7.4)
3.0534
Log P
3.0534
Molar Refractivity
97.0779
Polarizability
34.169884
Polar Surface Area
65.37
Rotatable Bonds
5
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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