2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]-N-(3-fluorophenyl)acetamide

Formula:C24H17N4O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]-N-(3-fluorophenyl)acetamide is a drug-like molecule.

MolName	2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]-N-(3-fluorophenyl)acetamide
MolecularFormula	C24H17N4O6F
Smiles	[O-][N+](c(cc1)cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OCC(Nc1cccc(F)c1)=O)=O
InChI	InChI=1S/C24H17FN4O6/c25-16-5-4-6-17(13-16)26-22(30)14-35-21-10-9-19(29(33)34)11-15(21)12-20-23(31)27-28(24(20)32)18-7-2-1-3-8-18/h1-13H,14H2,(H,26,30)(H,27,31)
InChIK	WFULXSMTOUBIOA-UHFFFAOYSA-N
TotalMolweight	476.419
Molweight	476.419
MonoisotopicMass	476.113214
CLogP	1.2452
CLogS	-4.956
H Acceptors	10
H Donors	2
TotalSurfaceArea	344.24
Relative PSA	0.30795
PolarSurfaceArea	133.56
Druglikeness	-1.91
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]-N-(3-fluorophenyl)acetamide | 2 - 2-[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenoxy]-N-(3-fluorophenyl)acetamide

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