Molecule

ID:57739

General Information
Structure
Molecular Formula
C₁₄H₉NO₄S
Molecular Mass
287.29056
Exact Mass
287.02522877
Charge
0
InChI
InChI=1S/C14H9NO4S/c16-9-10-5-7-11(8-6-10)19-14-12-3-1-2-4-13(12)20(17,18)15-14/h1-9H
InChIKey
XPMJOFBRLNZVQH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.332669
LogD (pH = 7.4)
2.3326693
Log P
2.3326693
Molar Refractivity
73.5599
Polarizability
28.473993
Polar Surface Area
72.8
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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