[(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate

Formula:C15H11N3O3ClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate
MolecularFormula	C15H11N3O3ClF3
Smiles	N/C(/c(cc1)cnc1OCC(F)(F)F)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C15H11ClF3N3O3/c16-11-4-1-9(2-5-11)14(23)25-22-13(20)10-3-6-12(21-7-10)24-8-15(17,18)19/h1-7H,8H2,(H2,20,22)
InChIK	FHFNHIVNDNIAPE-UHFFFAOYSA-N
TotalMolweight	373.717
Molweight	373.717
MonoisotopicMass	373.044103
CLogP	3.8492
CLogS	-5.06
H Acceptors	6
H Donors	1
TotalSurfaceArea	259.66
Relative PSA	0.27263
PolarSurfaceArea	86.8
Druglikeness	-9.3762
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate | 2 - [(E)-[amino-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylidene]amino] 4-chlorobenzoate

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