(E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide

Formula:C29H20N3O5F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C29H20N3O5F
Smiles	[O-][N+](c1cccc(/C=C/C(N(CCN(C(c2c3c4cccc3ccc2)=O)C4=O)c2cccc(F)c2)=O)c1)=O
InChI	InChI=1S/C29H20FN3O5/c30-21-8-4-9-22(18-21)31(26(34)14-13-19-5-1-10-23(17-19)33(37)38)15-16-32-28(35)24-11-2-6-20-7-3-12-25(27(20)24)29(32)36/h1-14,17-18H,15-16H2
InChIK	LOETXDUXCQBUHF-UHFFFAOYSA-N
TotalMolweight	509.492
Molweight	509.492
MonoisotopicMass	509.1387
CLogP	4.5883
CLogS	-7.095
H Acceptors	8
TotalSurfaceArea	371.77
Relative PSA	0.20615
PolarSurfaceArea	103.51
Druglikeness	-4.3775
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.44737
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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