Molecule

ID:107727

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₄S
Molecular Mass
267.30092
Exact Mass
267.0565289
Charge
0
InChI
InChI=1S/C12H11N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H;(H2,1,2,3,4)
InChIKey
IPZMDJYHJNHGML-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Nc1ccccc1.OS(=O)(=O)O
Isomeric Smiles
OS(=O)(=O)O.N(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4131632
LogD (pH = 7.4)
3.4131715
Log P
3.4131715
Molar Refractivity
54.5442
Polarizability
21.139719
Polar Surface Area
12.03
Rotatable Bonds
2
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
References
Bioactivity
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