Molecule

ID:117065

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄S
Molecular Mass
311.39654
Exact Mass
311.11912916
Charge
0
InChI
InChI=1S/C15H21NO4S/c1-12-4-6-13(7-5-12)21(17,18)16-8-15(9-16)10-19-14(2,3)20-11-15/h4-7H,8-11H2,1-3H3
InChIKey
VIIHDYGCBIYCCK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)N1CC2(C1)COC(OC2)(C)C
Isomeric Smiles
S(=O)(=O)(N1CC2(C1)COC(OC2)(C)C)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5410423
LogD (pH = 7.4)
1.5410423
Log P
1.5410423
Molar Refractivity
80.4626
Polarizability
32.058815
Polar Surface Area
55.84
Rotatable Bonds
1
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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