(4E)-4-[[2-[2-(2-chlorophenoxy)ethoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C24H18N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[2-[2-(2-chlorophenoxy)ethoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4E)-4-[[2-[2-(2-chlorophenoxy)ethoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C24H18N3O6Cl
Smiles	[O-][N+](c(cc1)cc(/C=C(\C(NN2c3ccccc3)=O)/C2=O)c1OCCOc(cccc1)c1Cl)=O
InChI	InChI=1S/C24H18ClN3O6/c25-20-8-4-5-9-22(20)34-13-12-33-21-11-10-18(28(31)32)14-16(21)15-19-23(29)26-27(24(19)30)17-6-2-1-3-7-17/h1-11,14-15H,12-13H2,(H,26,29)
InChIK	RTTQPVPZDAMDPG-UHFFFAOYSA-N
TotalMolweight	479.875
Molweight	479.875
MonoisotopicMass	479.088414
CLogP	2.383
CLogS	-5.354
H Acceptors	9
H Donors	1
TotalSurfaceArea	347.86
Relative PSA	0.26307
PolarSurfaceArea	113.69
Druglikeness	-8.085
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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