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

Formula:C27H19N2O3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-4-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C27H19N2O3Br
Smiles	O=C(/C(/C1=O)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2Br)NN1c1ccccc1
InChI	InChI=1S/C27H19BrN2O3/c28-20-13-10-18(11-14-20)17-33-25-15-12-19-6-4-5-9-22(19)23(25)16-24-26(31)29-30(27(24)32)21-7-2-1-3-8-21/h1-16H,17H2,(H,29,31)
InChIK	YGMKFSJLOXAWHQ-UHFFFAOYSA-N
TotalMolweight	499.363
Molweight	499.363
MonoisotopicMass	498.057904
CLogP	4.6113
CLogS	-6.671
H Acceptors	5
H Donors	1
TotalSurfaceArea	338.24
Relative PSA	0.15105
PolarSurfaceArea	58.64
Druglikeness	2.0161
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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