(4Z)-4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C23H15N3O5ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C23H15N3O5ClF
Smiles	[O-][N+](c1cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc(Cl)c1OCc(cc1)ccc1F)=O
InChI	InChI=1S/C23H15ClFN3O5/c24-19-11-15(10-18-22(29)26-27(23(18)30)17-4-2-1-3-5-17)12-20(28(31)32)21(19)33-13-14-6-8-16(25)9-7-14/h1-12H,13H2,(H,26,29)
InChIK	ITLUHOYDRABWOR-UHFFFAOYSA-N
TotalMolweight	467.839
Molweight	467.839
MonoisotopicMass	467.068427
CLogP	2.4769
CLogS	-5.741
H Acceptors	8
H Donors	1
TotalSurfaceArea	330.45
Relative PSA	0.24666
PolarSurfaceArea	104.46
Druglikeness	-2.545
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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