2,2,2-trifluoro-N-pyridin-2-yl-N'-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidamide

Formula:C15H9N3O2Cl3F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high 2,2,2-trifluoro-N-pyridin-2-yl-N'-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidamide is not a drug-like molecule.

MolName	2,2,2-trifluoro-N-pyridin-2-yl-N'-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidamide
MolecularFormula	C15H9N3O2Cl3F3
Smiles	FC(/C(/Nc1ncccc1)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C15H9Cl3F3N3O2/c16-14(17,18)15(25-9-5-1-2-6-10(9)26-15)24-12(13(19,20)21)23-11-7-3-4-8-22-11/h1-8H,(H,22,23,24)
InChIK	BKCACWOPVQOTCS-UHFFFAOYSA-N
TotalMolweight	426.608
Molweight	426.608
MonoisotopicMass	424.971242
CLogP	5.5527
CLogS	-5.314
H Acceptors	5
H Donors	1
TotalSurfaceArea	269.25
Relative PSA	0.20033
PolarSurfaceArea	55.74
Druglikeness	-9.6736
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	8
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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