Molecule

ID:42284

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₅S
Molecular Mass
285.3162
Exact Mass
285.06709359
Charge
0
InChI
InChI=1S/C12H15NO5S/c1-10-2-4-11(5-3-10)19(15,16)18-9-7-13-6-8-17-12(13)14/h2-5H,6-9H2,1H3
InChIKey
KBVHXYDAYZDUML-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCN1CCOS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)OCCN1C(=O)OCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7388397
LogD (pH = 7.4)
1.7388397
Log P
1.7388397
Molar Refractivity
68.1489
Polarizability
27.402946
Polar Surface Area
72.91
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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