Molecule

ID:96996

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀FNO₅
Molecular Mass
243.1885032
Exact Mass
243.05430065
Charge
0
InChI
InChI=1S/C10H10FNO5/c11-5-1-3-6(4-2-5)12-9(15)7(13)8(14)10(16)17/h1-4,7-8,13-14H,(H,12,15)(H,16,17)/t7-,8+/m0/s1
InChIKey
GEDAGSYSBWTSHH-JGVFFNPUSA-N
Canonic Smiles
O[C@@H]([C@H](C(=O)O)O)C(=O)Nc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)NC(=O)[C@H]([C@@H](O)C(=O)O)O
Calculated Properties
JChem
Acid pKa
3.225983
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.5046465
LogD (pH = 7.4)
-3.6925862
Log P
-0.25179607
Molar Refractivity
54.7071
Polarizability
20.604712
Polar Surface Area
106.86
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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