(3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-2-benzofuran-1-one

Formula:C15H7NO2ClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low (3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-2-benzofuran-1-one is a drug-like molecule.

MolName	(3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-2-benzofuran-1-one
MolecularFormula	C15H7NO2ClF3
Smiles	O=C(c1c2cccc1)O/C2=C\c(ncc(C(F)(F)F)c1)c1Cl
InChI	InChI=1S/C15H7ClF3NO2/c16-11-5-8(15(17,18)19)7-20-12(11)6-13-9-3-1-2-4-10(9)14(21)22-13/h1-7H
InChIK	CQQQXFSFMSVDNI-UHFFFAOYSA-N
TotalMolweight	325.673
Molweight	325.673
MonoisotopicMass	325.01174
CLogP	3.8179
CLogS	-4.522
H Acceptors	3
TotalSurfaceArea	215.62
Relative PSA	0.15773
PolarSurfaceArea	39.19
Druglikeness	-7.8832
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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