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

Formula:C20H12N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C20H12N2O3Cl2
Smiles	O=C(/C(/C1=O)=C/c2ccc(-c(cc3)cc(Cl)c3Cl)o2)NN1c1ccccc1
InChI	InChI=1S/C20H12Cl2N2O3/c21-16-8-6-12(10-17(16)22)18-9-7-14(27-18)11-15-19(25)23-24(20(15)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)
InChIK	BICQKZHJYRTAFS-UHFFFAOYSA-N
TotalMolweight	399.232
Molweight	399.232
MonoisotopicMass	398.022497
CLogP	3.4945
CLogS	-5.822
H Acceptors	5
H Donors	1
TotalSurfaceArea	281.78
Relative PSA	0.1959
PolarSurfaceArea	62.55
Druglikeness	4.963
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - (4Z)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments