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

Formula:C16H10N2O2Cl3F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high 2,2,2-trifluoro-N-phenyl-N'-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidamide is not a drug-like molecule.

MolName	2,2,2-trifluoro-N-phenyl-N'-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidamide
MolecularFormula	C16H10N2O2Cl3F3
Smiles	FC(/C(/Nc1ccccc1)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C16H10Cl3F3N2O2/c17-15(18,19)16(25-11-8-4-5-9-12(11)26-16)24-13(14(20,21)22)23-10-6-2-1-3-7-10/h1-9H,(H,23,24)
InChIK	RGAIDNFDXHXWBL-UHFFFAOYSA-N
TotalMolweight	425.62
Molweight	425.62
MonoisotopicMass	423.975993
CLogP	6.2022
CLogS	-5.584
H Acceptors	4
H Donors	1
TotalSurfaceArea	270.49
Relative PSA	0.15886
PolarSurfaceArea	42.85
Druglikeness	-9.6736
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	10
BasicNitrogens	1
StereoCon

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