[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 4-(trifluoromethoxy)benzoate

Formula:C23H16N3O4ClF6 Mutagenic:high Tumorigenic:high Reproductive Effective:low [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 4-(trifluoromethoxy)benzoate is not a drug-like molecule.

MolName	[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 4-(trifluoromethoxy)benzoate
MolecularFormula	C23H16N3O4ClF6
Smiles	N/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/OC(c(cc1)ccc1OC(F)(F)F)=O
InChI	InChI=1S/C23H16ClF6N3O4/c24-18-10-15(22(25,26)27)11-32-19(18)12-35-16-5-1-13(2-6-16)9-20(31)33-37-21(34)14-3-7-17(8-4-14)36-23(28,29)30/h1-8,10-11H,9,12H2,(H2,31,33)
InChIK	AGIYVCDDVGZAFR-UHFFFAOYSA-N
TotalMolweight	547.838
Molweight	547.838
MonoisotopicMass	547.073352
CLogP	6.0247
CLogS	-6.608
H Acceptors	7
H Donors	1
TotalSurfaceArea	372.64
Relative PSA	0.2168
PolarSurfaceArea	96.03
Druglikeness	-13.567
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.64865
Fragments	1
Non HAtoms	37
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	8
Aromatic Nitrogens	1
StereoCon

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1 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 4-(trifluoromethoxy)benzoate | 2 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] 4-(trifluoromethoxy)benzoate

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