(4Z)-4-[[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C23H16N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C23H16N3O5Br
Smiles	[O-][N+](c1cccc(COc(ccc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c2)c2Br)c1)=O
InChI	InChI=1S/C23H16BrN3O5/c24-20-13-15(9-10-21(20)32-14-16-5-4-8-18(11-16)27(30)31)12-19-22(28)25-26(23(19)29)17-6-2-1-3-7-17/h1-13H,14H2,(H,25,28)
InChIK	POOHRNYJLKJARU-UHFFFAOYSA-N
TotalMolweight	494.3
Molweight	494.3
MonoisotopicMass	493.027333
CLogP	2.4953
CLogS	-5.525
H Acceptors	8
H Donors	1
TotalSurfaceArea	327.31
Relative PSA	0.24903
PolarSurfaceArea	104.46
Druglikeness	-3.053
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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