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

Formula:C23H15N3O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (4Z)-4-[[2-[(3,4-dichlorophenyl)methoxy]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[2-[(3,4-dichlorophenyl)methoxy]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C23H15N3O5Cl2
Smiles	[O-][N+](c(cccc1/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1OCc(cc1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C23H15Cl2N3O5/c24-18-10-9-14(11-19(18)25)13-33-21-15(5-4-8-20(21)28(31)32)12-17-22(29)26-27(23(17)30)16-6-2-1-3-7-16/h1-12H,13H2,(H,26,29)
InChIK	NHMPHVFHUKOEOV-UHFFFAOYSA-N
TotalMolweight	484.294
Molweight	484.294
MonoisotopicMass	483.038876
CLogP	2.9821
CLogS	-6.163
H Acceptors	8
H Donors	1
TotalSurfaceArea	339.52
Relative PSA	0.24007
PolarSurfaceArea	104.46
Druglikeness	-1.205
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
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	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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