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

Formula:C23H14N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 4-chlorobenzoate is a drug-like molecule.

MolName	[2-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-4-nitrophenyl] 4-chlorobenzoate
MolecularFormula	C23H14N3O6Cl
Smiles	[O-][N+](c(cc1)cc(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OC(c(cc1)ccc1Cl)=O)=O
InChI	InChI=1S/C23H14ClN3O6/c24-16-8-6-14(7-9-16)23(30)33-20-11-10-18(27(31)32)12-15(20)13-19-21(28)25-26(22(19)29)17-4-2-1-3-5-17/h1-13H,(H,25,28)
InChIK	HWNOOBUGQMWTJW-UHFFFAOYSA-N
TotalMolweight	463.832
Molweight	463.832
MonoisotopicMass	463.057114
CLogP	2.4585
CLogS	-5.556
H Acceptors	9
H Donors	1
TotalSurfaceArea	328.09
Relative PSA	0.28818
PolarSurfaceArea	121.53
Druglikeness	-1.108
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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

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