Molecule

ID:15898

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₄S
Molecular Mass
323.3393632
Exact Mass
323.06275715
Charge
0
InChI
InChI=1S/C15H14FNO4S/c1-11(15(18)19)17(13-9-7-12(16)8-10-13)22(20,21)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChIKey
XSHRYJBRSRWPNU-LLVKDONJSA-N
Canonic Smiles
OC(=O)[C@H](N(S(=O)(=O)c1ccccc1)c1ccc(cc1)F)C
Isomeric Smiles
[C@@H](N(c1ccc(cc1)F)S(=O)(=O)c1ccccc1)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1613402
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5605137
LogD (pH = 7.4)
-0.5779618
Log P
2.8740366
Molar Refractivity
78.5818
Polarizability
30.974012
Polar Surface Area
74.68
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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