[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C23H19N2O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.

MolName	[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C23H19N2O4F3
Smiles	O=C(COC(c1c(CCC/C2=C\c3ccco3)c2nc2ccccc12)=O)NCC(F)(F)F
InChI	InChI=1S/C23H19F3N2O4/c24-23(25,26)13-27-19(29)12-32-22(30)20-16-7-1-2-9-18(16)28-21-14(5-3-8-17(20)21)11-15-6-4-10-31-15/h1-2,4,6-7,9-11H,3,5,8,12-13H2,(H,27,29)
InChIK	RVUVVFUAJOSNSK-UHFFFAOYSA-N
TotalMolweight	444.408
Molweight	444.408
MonoisotopicMass	444.129692
CLogP	3.7592
CLogS	-5.43
H Acceptors	6
H Donors	1
TotalSurfaceArea	322.5
Relative PSA	0.22518
PolarSurfaceArea	81.43
Druglikeness	-7.0259
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (4E)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

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