Molecule

ID:12878

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FNO₂
Molecular Mass
243.2331032
Exact Mass
243.06955679
Charge
0
InChI
InChI=1S/C14H10FNO2/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)14(17)18-13/h1-8,13,16H
InChIKey
MLQKCVWRZPCHDQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC1OC(=O)c2c1cccc2
Isomeric Smiles
c1cc2c(cc1)C(OC2=O)Nc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.245308
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.271029
LogD (pH = 7.4)
3.2710233
Log P
3.271029
Molar Refractivity
65.8747
Polarizability
24.417282
Polar Surface Area
38.33
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
Molecule Details
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References
Bioactivity
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