[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxylate

Formula:C17H15N3O6F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxylate is a drug-like molecule.

MolName	[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxylate
MolecularFormula	C17H15N3O6F4
Smiles	[O-][N+](c(cc1)cc(NC(COC(C(CCC2)N2/C=C/C(C(F)(F)F)=O)=O)=O)c1F)=O
InChI	InChI=1S/C17H15F4N3O6/c18-11-4-3-10(24(28)29)8-12(11)22-15(26)9-30-16(27)13-2-1-6-23(13)7-5-14(25)17(19,20)21/h3-5,7-8,13H,1-2,6,9H2,(H,22,26)/t13-/m0/s1
InChIK	DHLWFLJSSZEUTQ-ZDUSSCGKSA-N
TotalMolweight	433.313
Molweight	433.313
MonoisotopicMass	433.089699
CLogP	0.6033
CLogS	-3.978
H Acceptors	9
H Donors	1
TotalSurfaceArea	298.29
Relative PSA	0.31697
PolarSurfaceArea	121.53
Druglikeness	-32.13
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	1
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon	racemate

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1 - [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxylate | 2 - [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxylate

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