(4Z)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C27H19N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C27H19N3O5
Smiles	[O-][N+](c1cc(COc2c(/C=C(/C(NN3c4ccccc4)=O)\C3=O)c3ccccc3cc2)ccc1)=O
InChI	InChI=1S/C27H19N3O5/c31-26-24(27(32)29(28-26)20-9-2-1-3-10-20)16-23-22-12-5-4-8-19(22)13-14-25(23)35-17-18-7-6-11-21(15-18)30(33)34/h1-16H,17H2,(H,28,31)
InChIK	GHNTYIDGLMNUSU-UHFFFAOYSA-N
TotalMolweight	465.464
Molweight	465.464
MonoisotopicMass	465.132472
CLogP	2.9645
CLogS	-6.297
H Acceptors	8
H Donors	1
TotalSurfaceArea	343.28
Relative PSA	0.23744
PolarSurfaceArea	104.46
Druglikeness	-1.263
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Request More Details | (4Z)-4-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments