Molecule

ID:14756

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄S
Molecular Mass
291.32232
Exact Mass
291.0565289
Charge
0
InChI
InChI=1S/C14H13NO4S/c16-14(17)10-15-20(18,19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,16,17)
InChIKey
ZIAFXLGSGMQYPL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(S(=O)(=O)NCC(=O)O)ccc(cc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.103777
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.4389758
LogD (pH = 7.4)
-1.5333531
Log P
1.9281613
Molar Refractivity
74.3334
Polarizability
30.737185
Polar Surface Area
83.47
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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