(4Z)-4-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C23H16N2O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C23H16N2O3BrCl
Smiles	O=C(/C(/C1=O)=C/c(cc(cc2)Cl)c2OCc(cc2)ccc2Br)NN1c1ccccc1
InChI	InChI=1S/C23H16BrClN2O3/c24-17-8-6-15(7-9-17)14-30-21-11-10-18(25)12-16(21)13-20-22(28)26-27(23(20)29)19-4-2-1-3-5-19/h1-13H,14H2,(H,26,28)
InChIK	ORLKTASITPQNSN-UHFFFAOYSA-N
TotalMolweight	483.748
Molweight	483.748
MonoisotopicMass	482.003281
CLogP	4.0229
CLogS	-5.801
H Acceptors	5
H Donors	1
TotalSurfaceArea	319.06
Relative PSA	0.16013
PolarSurfaceArea	58.64
Druglikeness	2.0658
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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