(4Z)-4-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C19H12N2O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C19H12N2O3Br2
Smiles	C#CCOc(c(Br)cc(/C=C(/C(NN1c2ccccc2)=O)\C1=O)c1)c1Br
InChI	InChI=1S/C19H12Br2N2O3/c1-2-8-26-17-15(20)10-12(11-16(17)21)9-14-18(24)22-23(19(14)25)13-6-4-3-5-7-13/h1,3-7,9-11H,8H2,(H,22,24)
InChIK	QGAKZVUFMXHELR-UHFFFAOYSA-N
TotalMolweight	476.123
Molweight	476.123
MonoisotopicMass	473.921465
CLogP	2.7512
CLogS	-5.2
H Acceptors	5
H Donors	1
TotalSurfaceArea	286.32
Relative PSA	0.17844
PolarSurfaceArea	58.64
Druglikeness	2.055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
StereoCon

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