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

Formula:C22H17N3O3ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:low [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] benzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] benzoate
MolecularFormula	C22H17N3O3ClF3
Smiles	N/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/OC(c1ccccc1)=O
InChI	InChI=1S/C22H17ClF3N3O3/c23-18-11-16(22(24,25)26)12-28-19(18)13-31-17-8-6-14(7-9-17)10-20(27)29-32-21(30)15-4-2-1-3-5-15/h1-9,11-12H,10,13H2,(H2,27,29)
InChIK	WZHIUBYBTSDOLM-UHFFFAOYSA-N
TotalMolweight	463.842
Molweight	463.842
MonoisotopicMass	463.091053
CLogP	4.9257
CLogS	-5.585
H Acceptors	6
H Donors	1
TotalSurfaceArea	333.18
Relative PSA	0.21247
PolarSurfaceArea	86.8
Druglikeness	-10.027
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
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] benzoate | 2 - [(E)-[1-amino-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]ethylidene]amino] benzoate

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