(7E)-7-benzylidene-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione

Formula:C21H15N2O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (7E)-7-benzylidene-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione is a drug-like molecule.

MolName	(7E)-7-benzylidene-1-[3-(trifluoromethyl)phenyl]-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione
MolecularFormula	C21H15N2O2F3
Smiles	O=C(C(CC/C1=C\c2ccccc2)=C1N(c1cccc(C(F)(F)F)c1)N1)C1=O
InChI	InChI=1S/C21H15F3N2O2/c22-21(23,24)15-7-4-8-16(12-15)26-18-14(11-13-5-2-1-3-6-13)9-10-17(18)19(27)20(28)25-26/h1-8,11-12H,9-10H2,(H,25,28)
InChIK	NVPJEMZSUMIVPM-UHFFFAOYSA-N
TotalMolweight	384.356
Molweight	384.356
MonoisotopicMass	384.108562
CLogP	3.2823
CLogS	-4.568
H Acceptors	4
H Donors	1
TotalSurfaceArea	267.89
Relative PSA	0.15338
PolarSurfaceArea	49.41
Druglikeness	-7.4112
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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