quinolin-8-yl (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate

Formula:C19H10N2O3Cl3F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high quinolin-8-yl (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate is not a drug-like molecule.

MolName	quinolin-8-yl (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate
MolecularFormula	C19H10N2O3Cl3F3
Smiles	FC(/C(/Oc1cccc2cccnc12)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C19H10Cl3F3N2O3/c20-18(21,22)19(29-12-7-1-2-8-13(12)30-19)27-16(17(23,24)25)28-14-9-3-5-11-6-4-10-26-15(11)14/h1-10H
InChIK	QIMLJKRLWUELJT-UHFFFAOYSA-N
TotalMolweight	477.652
Molweight	477.652
MonoisotopicMass	475.970908
CLogP	6.8012
CLogS	-6.248
H Acceptors	5
TotalSurfaceArea	302.39
Relative PSA	0.17355
PolarSurfaceArea	52.94
Druglikeness	-13.423
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	8
Aromatic Nitrogens	1
StereoCon

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