Molecule

ID:15897

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FNO₄S
Molecular Mass
337.3659432
Exact Mass
337.07840722
Charge
0
InChI
InChI=1S/C16H16FNO4S/c1-11-3-9-15(10-4-11)23(21,22)18(12(2)16(19)20)14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKey
PFZHVFHEFSHFKV-GFCCVEGCSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)N([C@@H](C(=O)O)C)c1ccc(cc1)F
Isomeric Smiles
[C@@H](N(c1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)C)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2757747
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1816385
LogD (pH = 7.4)
-0.043661866
Log P
3.387458
Molar Refractivity
83.623
Polarizability
32.72793
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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