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

Formula:C16H10N3O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C16H10N3O5Br
Smiles	[O-][N+](c1cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)cc(Br)c1O)=O
InChI	InChI=1S/C16H10BrN3O5/c17-12-7-9(8-13(14(12)21)20(24)25)6-11-15(22)18-19(16(11)23)10-4-2-1-3-5-10/h1-8,21H,(H,18,22)
InChIK	ZZQUYOGBIPJVKK-UHFFFAOYSA-N
TotalMolweight	404.175
Molweight	404.175
MonoisotopicMass	402.980383
CLogP	0.8015
CLogS	-3.888
H Acceptors	8
H Donors	2
TotalSurfaceArea	250.14
Relative PSA	0.33825
PolarSurfaceArea	115.46
Druglikeness	-2.8092
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

Request More Details | (4Z)-4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments