Molecule

ID:77771

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₅S
Molecular Mass
285.3162
Exact Mass
285.06709359
Charge
0
InChI
InChI=1S/C12H15NO5S/c1-17-12(14)10-4-2-3-5-11(10)19(15,16)13-6-8-18-9-7-13/h2-5H,6-9H2,1H3
InChIKey
FJLVVZZMDOHEEM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
Isomeric Smiles
O(C)C(=O)c1c(cccc1)S(=O)(=O)N1CCOCC1
Calculated Properties
Provided by Enamine
CLogP
0.55
H Donor
0
Polar Surface Area
72.91
Rotatable Bonds
3
JChem
Log P
0.81
LogD (pH = 7.4)
0.81
LogD (pH = 5.5)
0.81
Rotatable Bonds
3
H Donor
0
H Acceptors
4
Polar Surface Area
72.91
Molar Refractivity
69
Polarizability
28.00
Lipinski's Rule of Five
true
LOG S
-2.20
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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