[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate

Formula:C17H10N2O3Cl3F3 Mutagenic:none Tumorigenic:high Reproductive Effective:low [2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
MolecularFormula	C17H10N2O3Cl3F3
Smiles	O=C(COC(/C=C/c(ccc(Cl)c1)c1Cl)=O)Nc(ncc(C(F)(F)F)c1)c1Cl
InChI	InChI=1S/C17H10Cl3F3N2O3/c18-11-3-1-9(12(19)6-11)2-4-15(27)28-8-14(26)25-16-13(20)5-10(7-24-16)17(21,22)23/h1-7H,8H2,(H,24,25,26)
InChIK	KCPVLWRCMPTCCM-UHFFFAOYSA-N
TotalMolweight	453.63
Molweight	453.63
MonoisotopicMass	451.970908
CLogP	4.711
CLogS	-6.117
H Acceptors	5
H Donors	1
TotalSurfaceArea	304.72
Relative PSA	0.19201
PolarSurfaceArea	68.29
Druglikeness	-7.0183
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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