(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4,4,4-trifluoro-1-phenylbutane-1,3-dione

Formula:C18H11O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4,4,4-trifluoro-1-phenylbutane-1,3-dione is a drug-like molecule.

MolName	(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4,4,4-trifluoro-1-phenylbutane-1,3-dione
MolecularFormula	C18H11O4F3
Smiles	O=C(C(F)(F)F)/C(/C(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C18H11F3O4/c19-18(20,21)17(23)13(16(22)12-4-2-1-3-5-12)8-11-6-7-14-15(9-11)25-10-24-14/h1-9H,10H2
InChIK	JDNIXQOAZYKXST-UHFFFAOYSA-N
TotalMolweight	348.275
Molweight	348.275
MonoisotopicMass	348.060944
CLogP	3.9073
CLogS	-5.337
H Acceptors	4
TotalSurfaceArea	242.95
Relative PSA	0.18967
PolarSurfaceArea	52.6
Druglikeness	-32.672
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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