[(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 3-(trifluoromethyl)benzoate

Formula:C16H11N3O3F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 3-(trifluoromethyl)benzoate is a drug-like molecule.

MolName	[(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 3-(trifluoromethyl)benzoate
MolecularFormula	C16H11N3O3F6
Smiles	N/C(/c(cc1)cnc1OCC(F)(F)F)=N/OC(c1cccc(C(F)(F)F)c1)=O
InChI	InChI=1S/C16H11F6N3O3/c17-15(18,19)8-27-12-5-4-10(7-24-12)13(23)25-28-14(26)9-2-1-3-11(6-9)16(20,21)22/h1-7H,8H2,(H2,23,25)
InChIK	LDODGEWSXCIVPQ-UHFFFAOYSA-N
TotalMolweight	407.269
Molweight	407.269
MonoisotopicMass	407.07046
CLogP	4.0915
CLogS	-5.102
H Acceptors	6
H Donors	1
TotalSurfaceArea	273.7
Relative PSA	0.25864
PolarSurfaceArea	86.8
Druglikeness	-9.4675
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 3-(trifluoromethyl)benzoate | 2 - [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 3-(trifluoromethyl)benzoate

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