(4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methylidene-2-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one

Formula:C17H12N4OBrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methylidene-2-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one is a drug-like molecule.

MolName	(4E)-4-[(4-bromophenyl)hydrazinylidene]-5-methylidene-2-[3-(trifluoromethyl)phenyl]pyrazolidin-3-one
MolecularFormula	C17H12N4OBrF3
Smiles	C=C(/C(/C1=O)=N\Nc(cc2)ccc2Br)NN1c1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C17H12BrF3N4O/c1-10-15(23-22-13-7-5-12(18)6-8-13)16(26)25(24-10)14-4-2-3-11(9-14)17(19,20)21/h2-9,22,24H,1H2
InChIK	VRBUKJMEWANTCM-UHFFFAOYSA-N
TotalMolweight	425.207
Molweight	425.207
MonoisotopicMass	424.014656
CLogP	4.7556
CLogS	-4.634
H Acceptors	5
H Donors	2
TotalSurfaceArea	264.3
Relative PSA	0.19304
PolarSurfaceArea	56.73
Druglikeness	-7.3346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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