[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Formula:C19H15N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate is a drug-like molecule.

MolName[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
MolecularFormulaC19H15N2O4F
SmilesO=C(COC(/C=C/c(cc1)ccc1F)=O)N(C1)c(cccc2)c2NC1=O
InChIInChI=1S/C19H15FN2O4/c20-14-8-5-13(6-9-14)7-10-19(25)26-12-18(24)22-11-17(23)21-15-3-1-2-4-16(15)22/h1-10H,11-12H2,(H,21,23)
InChIKLHJKLUDYHFVAEN-UHFFFAOYSA-N
TotalMolweight354.336
Molweight354.336
MonoisotopicMass354.101586
CLogP1.8183
CLogS-3.879
H Acceptors6
H Donors1
TotalSurfaceArea264.9
Relative PSA0.24209
PolarSurfaceArea75.71
Druglikeness1.2096
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides2
StereoCon

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