Molecule

ID:113284

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₃
Molecular Mass
209.1738232
Exact Mass
209.04882134
Charge
0
InChI
InChI=1S/C10H8FNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)/b6-5+
InChIKey
NVKBZXHSDUVZDI-AATRIKPKSA-N
Canonic Smiles
O=C(Nc1ccccc1F)/C=C/C(=O)O
Isomeric Smiles
N(C(=O)/C=C/C(=O)O)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
3.2302027
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.71278834
LogD (pH = 7.4)
-1.9038934
Log P
1.5360895
Molar Refractivity
53.1007
Polarizability
18.945534
Polar Surface Area
66.4
Rotatable Bonds
3
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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