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

Formula:C13H8N3OCl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-chloro-1-[3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazol-1-yl]ethanone is a drug-like molecule.

MolName	2-chloro-1-[3-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]pyrazol-1-yl]ethanone
MolecularFormula	C13H8N3OCl2F3
Smiles	O=C(CCl)n1nc(/C=C/c(ncc(C(F)(F)F)c2)c2Cl)cc1
InChI	InChI=1S/C13H8Cl2F3N3O/c14-6-12(22)21-4-3-9(20-21)1-2-11-10(15)5-8(7-19-11)13(16,17)18/h1-5,7H,6H2
InChIK	JLFQCVRVNKCART-UHFFFAOYSA-N
TotalMolweight	350.127
Molweight	350.127
MonoisotopicMass	348.99965
CLogP	2.7488
CLogS	-4.107
H Acceptors	4
TotalSurfaceArea	238.05
Relative PSA	0.1758
PolarSurfaceArea	47.78
Druglikeness	-4.2851
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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