Molecule

ID:42384

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃S
Molecular Mass
235.25906
Exact Mass
235.03031415
Charge
0
InChI
InChI=1S/C11H9NO3S/c1-14-8-2-4-9(5-3-8)15-11-12-6-10(7-13)16-11/h2-7H,1H3
InChIKey
LRDAZQVPTYVAAK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ncc(s1)C=O
Isomeric Smiles
c1(ncc(s1)C=O)Oc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5038462
LogD (pH = 7.4)
2.5038462
Log P
2.5038462
Molar Refractivity
59.8118
Polarizability
22.926516
Polar Surface Area
48.42
Rotatable Bonds
4
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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