3-chloro-2-[3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazol-1-yl]-5-(trifluoromethyl)pyridine

Formula:C17H8N4Cl2F6 Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-chloro-2-[3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazol-1-yl]-5-(trifluoromethyl)pyridine is not a drug-like molecule.

MolName	3-chloro-2-[3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazol-1-yl]-5-(trifluoromethyl)pyridine
MolecularFormula	C17H8N4Cl2F6
Smiles	FC(c1cnc(/C=C/c(cc2)nn2-c(ncc(C(F)(F)F)c2)c2Cl)c(Cl)c1)(F)F
InChI	InChI=1S/C17H8Cl2F6N4/c18-12-5-9(16(20,21)22)7-26-14(12)2-1-11-3-4-29(28-11)15-13(19)6-10(8-27-15)17(23,24)25/h1-8H
InChIK	MSZVUPHZNBLEOP-UHFFFAOYSA-N
TotalMolweight	453.173
Molweight	453.173
MonoisotopicMass	452.003018
CLogP	5.4902
CLogS	-4.088
H Acceptors	4
TotalSurfaceArea	294.52
Relative PSA	0.13507
PolarSurfaceArea	43.6
Druglikeness	-4.855
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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