[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate

Formula:C19H13N3O6ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:low [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate is a drug-like molecule.

MolName	[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate
MolecularFormula	C19H13N3O6ClF3
Smiles	[O-][N+](c(cc(cc1)Cl)c1NC(COC(c(cccc1)c1N/C=C/C(C(F)(F)F)=O)=O)=O)=O
InChI	InChI=1S/C19H13ClF3N3O6/c20-11-5-6-14(15(9-11)26(30)31)25-17(28)10-32-18(29)12-3-1-2-4-13(12)24-8-7-16(27)19(21,22)23/h1-9,24H,10H2,(H,25,28)
InChIK	KMZLPFBUHPZEHL-UHFFFAOYSA-N
TotalMolweight	471.774
Molweight	471.774
MonoisotopicMass	471.044498
CLogP	2.1964
CLogS	-5.743
H Acceptors	9
H Donors	2
TotalSurfaceArea	328
Relative PSA	0.31238
PolarSurfaceArea	130.32
Druglikeness	-35.192
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate | 2 - [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoate

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