(5E)-5-(anthracen-9-ylmethylidene)-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione

Formula:C26H15N2O3F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (5E)-5-(anthracen-9-ylmethylidene)-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-5-(anthracen-9-ylmethylidene)-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
MolecularFormula	C26H15N2O3F3
Smiles	O=C(/C(/C(N1c2cccc(C(F)(F)F)c2)=O)=C\c2c(cccc3)c3cc3ccccc23)NC1=O
InChI	InChI=1S/C26H15F3N2O3/c27-26(28,29)17-8-5-9-18(13-17)31-24(33)22(23(32)30-25(31)34)14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H,(H,30,32,34)
InChIK	KMIPBTTVMRIDDA-UHFFFAOYSA-N
TotalMolweight	460.41
Molweight	460.41
MonoisotopicMass	460.103477
CLogP	5.3925
CLogS	-7.877
H Acceptors	5
H Donors	1
TotalSurfaceArea	317.9
Relative PSA	0.17027
PolarSurfaceArea	66.48
Druglikeness	-2.49
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.41176
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	8
Amides	2
StereoCon

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