2-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile

Formula:C24H16N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
MolecularFormula	C24H16N3O3Br
Smiles	N#Cc1c(COc(ccc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2)c2Br)cccc1
InChI	InChI=1S/C24H16BrN3O3/c25-21-13-16(10-11-22(21)31-15-18-7-5-4-6-17(18)14-26)12-20-23(29)27-28(24(20)30)19-8-2-1-3-9-19/h1-13H,15H2,(H,27,29)
InChIK	OUVJTGTZYZRKCZ-UHFFFAOYSA-N
TotalMolweight	474.313
Molweight	474.313
MonoisotopicMass	473.037503
CLogP	3.2525
CLogS	-5.838
H Acceptors	6
H Donors	1
TotalSurfaceArea	325.35
Relative PSA	0.19871
PolarSurfaceArea	82.43
Druglikeness	-2.2639
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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1 - 2-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-bromo-4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile

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