[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate

Formula:C24H15N3O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C24H15N3O8
Smiles	[O-][N+](c(cc1)cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OC(c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C24H15N3O8/c28-22-18(23(29)26(25-22)16-4-2-1-3-5-16)11-15-10-17(27(31)32)7-9-19(15)35-24(30)14-6-8-20-21(12-14)34-13-33-20/h1-12H,13H2,(H,25,28)
InChIK	XATIHVFKEQUGQP-UHFFFAOYSA-N
TotalMolweight	473.396
Molweight	473.396
MonoisotopicMass	473.085917
CLogP	1.9639
CLogS	-5.531
H Acceptors	11
H Donors	1
TotalSurfaceArea	332.93
Relative PSA	0.34407
PolarSurfaceArea	139.99
Druglikeness	-1.1869
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate | 2 - [2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate

Request More Details | [2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 1,3-benzodioxole-5-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments