[2-(4-fluorophenyl)-2-oxoethyl] (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoate

Formula:C24H16NO5F Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-(4-fluorophenyl)-2-oxoethyl] (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoate is a drug-like molecule.

MolName	[2-(4-fluorophenyl)-2-oxoethyl] (E)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)but-2-enoate
MolecularFormula	C24H16NO5F
Smiles	O=C(COC(/C=C/CN(C(c1c2c3cccc2ccc1)=O)C3=O)=O)c(cc1)ccc1F
InChI	InChI=1S/C24H16FNO5/c25-17-11-9-15(10-12-17)20(27)14-31-21(28)8-3-13-26-23(29)18-6-1-4-16-5-2-7-19(22(16)18)24(26)30/h1-12H,13-14H2
InChIK	BVTWRNSSUZLXIL-UHFFFAOYSA-N
TotalMolweight	417.391
Molweight	417.391
MonoisotopicMass	417.101252
CLogP	3.4632
CLogS	-5.376
H Acceptors	6
TotalSurfaceArea	305.79
Relative PSA	0.21489
PolarSurfaceArea	80.75
Druglikeness	1.1116
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	8
Amides	1
StereoCon

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