[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(2,4,5-trichlorophenoxy)acetate

Formula:C14H10N3O3Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(2,4,5-trichlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-4-yl)methylidene]amino] 2-(2,4,5-trichlorophenoxy)acetate
MolecularFormula	C14H10N3O3Cl3
Smiles	N/C(/c1ccncc1)=N/OC(COc(c(Cl)c1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C14H10Cl3N3O3/c15-9-5-11(17)12(6-10(9)16)22-7-13(21)23-20-14(18)8-1-3-19-4-2-8/h1-6H,7H2,(H2,18,20)
InChIK	SILRXERXOYEGDE-UHFFFAOYSA-N
TotalMolweight	374.61
Molweight	374.61
MonoisotopicMass	372.978773
CLogP	3.4641
CLogS	-4.729
H Acceptors	6
H Donors	1
TotalSurfaceArea	261.04
Relative PSA	0.27118
PolarSurfaceArea	86.8
Druglikeness	-2.5475
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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