Molecule

ID:90157

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₃S
Molecular Mass
305.39196
Exact Mass
305.10856447
Charge
0
InChI
InChI=1S/C16H19NO3S/c1-3-17(13-14-9-11-15(20-2)12-10-14)21(18,19)16-7-5-4-6-8-16/h4-12H,3,13H2,1-2H3
InChIKey
FPJRJXFBGCSTSH-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1ccccc1)Cc1ccc(cc1)OC
Isomeric Smiles
O=S(=O)(c1ccccc1)N(CC)Cc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9502385
LogD (pH = 7.4)
2.9502385
Log P
2.9502385
Molar Refractivity
83.8337
Polarizability
33.230106
Polar Surface Area
46.61
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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