Molecule

ID:94612

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₃
Molecular Mass
209.1738232
Exact Mass
209.04882134
Charge
0
InChI
InChI=1S/C10H8FNO3/c1-15-10(14)9(12-6-13)7-2-4-8(11)5-3-7/h2-5,9H,1H3
InChIKey
XNVXRNJSAZPBRY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(cc1)F)N=C=O
Isomeric Smiles
Fc1ccc(cc1)C(C(=O)OC)N=C=O
Calculated Properties
JChem
Acid pKa
19.95982
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6603892
LogD (pH = 7.4)
1.6603892
Log P
1.6603892
Molar Refractivity
48.7662
Polarizability
18.74791
Polar Surface Area
55.73
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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