2-(2,4-difluoroanilino)-N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide

Formula:C19H19N5O3F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2,4-difluoroanilino)-N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(2,4-difluoroanilino)-N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
MolecularFormula	C19H19N5O3F2
Smiles	[O-][N+](c(cc(/C=N\NC(CNc(ccc(F)c1)c1F)=O)cc1)c1N1CCCC1)=O
InChI	InChI=1S/C19H19F2N5O3/c20-14-4-5-16(15(21)10-14)22-12-19(27)24-23-11-13-3-6-17(18(9-13)26(28)29)25-7-1-2-8-25/h3-6,9-11,22H,1-2,7-8,12H2,(H,24,27)
InChIK	XXTSCINKTCIIEN-UHFFFAOYSA-N
TotalMolweight	403.388
Molweight	403.388
MonoisotopicMass	403.145596
CLogP	2.2645
CLogS	-5.353
H Acceptors	8
H Donors	2
TotalSurfaceArea	300.42
Relative PSA	0.27109
PolarSurfaceArea	102.55
Druglikeness	-0.30432
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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