2-[2-bromo-4-chloro-6-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide

Formula:C18H13N3O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-bromo-4-chloro-6-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.

MolName	2-[2-bromo-4-chloro-6-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenoxy]acetamide
MolecularFormula	C18H13N3O4BrCl
Smiles	NC(COc(c(/C=C(/C(NN1c2ccccc2)=O)\C1=O)cc(Cl)c1)c1Br)=O
InChI	InChI=1S/C18H13BrClN3O4/c19-14-8-11(20)6-10(16(14)27-9-15(21)24)7-13-17(25)22-23(18(13)26)12-4-2-1-3-5-12/h1-8H,9H2,(H2,21,24)(H,22,25)
InChIK	AGJPVDWLLREDPJ-UHFFFAOYSA-N
TotalMolweight	450.675
Molweight	450.675
MonoisotopicMass	448.977795
CLogP	1.337
CLogS	-4.329
H Acceptors	7
H Donors	2
TotalSurfaceArea	285.57
Relative PSA	0.27804
PolarSurfaceArea	101.73
Druglikeness	2.64
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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