Molecule

ID:12822

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆FNO₂
Molecular Mass
309.3342432
Exact Mass
309.11650698
Charge
0
InChI
InChI=1S/C19H16FNO2/c20-16-6-2-5-15-13-3-1-4-14(13)17(21-18(15)16)11-7-9-12(10-8-11)19(22)23/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)
InChIKey
MLMWCBTXCKPKTH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)C1Nc2c(F)cccc2C2C1CC=C2
Isomeric Smiles
c1c(ccc(c1)C1Nc2c(C3C1CC=C3)cccc2F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.066123
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3383179
LogD (pH = 7.4)
0.66507876
Log P
3.7859192
Molar Refractivity
88.8534
Polarizability
32.38685
Polar Surface Area
49.33
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
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Molecule Details
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References
Bioactivity
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