Molecule

ID:126742

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₂NO₃S
Molecular Mass
325.3304264
Exact Mass
325.05842072
Charge
0
InChI
InChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)
InChIKey
VKGUUSVYPXTWMA-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)CS(=O)C(c1ccc(cc1)F)c1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)C(S(=O)CC(=O)NO)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
8.104461
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8139803
LogD (pH = 7.4)
1.7369541
Log P
1.8150566
Molar Refractivity
79.586
Polarizability
30.329529
Polar Surface Area
66.4
Rotatable Bonds
5
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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