(4Z)-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]pyrazolidine-3,5-dione

Formula:C21H14N3O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]pyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4Z)-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]pyrazolidine-3,5-dione
MolecularFormula	C21H14N3O2F3
Smiles	O=C(/C(/C1=O)=C/c2cccn2-c2cccc(C(F)(F)F)c2)NN1c1ccccc1
InChI	InChI=1S/C21H14F3N3O2/c22-21(23,24)14-6-4-9-16(12-14)26-11-5-10-17(26)13-18-19(28)25-27(20(18)29)15-7-2-1-3-8-15/h1-13H,(H,25,28)
InChIK	BFQYDEBUNFYGTK-UHFFFAOYSA-N
TotalMolweight	397.355
Molweight	397.355
MonoisotopicMass	397.103811
CLogP	2.4308
CLogS	-6.005
H Acceptors	5
H Donors	1
TotalSurfaceArea	279.91
Relative PSA	0.17134
PolarSurfaceArea	54.34
Druglikeness	-2.5332
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (4Z)-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]pyrazolidine-3,5-dione | 2 - (4Z)-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]pyrazolidine-3,5-dione

Request More Details | (4Z)-1-phenyl-4-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]pyrazolidine-3,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments