Molecule

ID:31001

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₃
Molecular Mass
209.1738232
Exact Mass
209.04882134
Charge
0
InChI
InChI=1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKey
PBZBMHSUDXPYCP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1ON=C(C1)c1ccc(cc1)F
Isomeric Smiles
N1=C(CC(O1)C(=O)O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
2.6762037
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.62965614
LogD (pH = 7.4)
-1.7631682
Log P
1.0545791
Molar Refractivity
48.9514
Polarizability
18.688692
Polar Surface Area
58.89
Rotatable Bonds
2
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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