(3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenylpyrrolidine-2,5-dione

Formula:C18H12N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenylpyrrolidine-2,5-dione is a drug-like molecule.

MolName	(3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenylpyrrolidine-2,5-dione
MolecularFormula	C18H12N2O6
Smiles	[O-][N+](c1c(/C=C(/CC(N2c3ccccc3)=O)\C2=O)cc2OCOc2c1)=O
InChI	InChI=1S/C18H12N2O6/c21-17-8-12(18(22)19(17)13-4-2-1-3-5-13)6-11-7-15-16(26-10-25-15)9-14(11)20(23)24/h1-7,9H,8,10H2
InChIK	LJTHKSHWHOLILD-UHFFFAOYSA-N
TotalMolweight	352.301
Molweight	352.301
MonoisotopicMass	352.069538
CLogP	1.9552
CLogS	-4.867
H Acceptors	8
TotalSurfaceArea	247.72
Relative PSA	0.32315
PolarSurfaceArea	101.66
Druglikeness	-1.9047
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenylpyrrolidine-2,5-dione | 2 - (3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenylpyrrolidine-2,5-dione

Request More Details | (3Z)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenylpyrrolidine-2,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments