Molecule

ID:43034

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄S
Molecular Mass
291.32232
Exact Mass
291.0565289
Charge
0
InChI
InChI=1S/C14H13NO4S/c1-20(17,18)15(12-8-4-2-5-9-12)14(16)19-13-10-6-3-7-11-13/h2-11H,1H3
InChIKey
RKHMJCRPZRAVRY-UHFFFAOYSA-N
Canonic Smiles
O=C(N(S(=O)(=O)C)c1ccccc1)Oc1ccccc1
Isomeric Smiles
S(=O)(=O)(N(C(=O)Oc1ccccc1)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.612243
LogD (pH = 7.4)
2.612243
Log P
2.612243
Molar Refractivity
73.7083
Polarizability
29.6555
Polar Surface Area
63.68
Rotatable Bonds
3
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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