(1E)-N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide

Formula:C15H8N3OCl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E)-N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide is a drug-like molecule.

MolName	(1E)-N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide
MolecularFormula	C15H8N3OCl2F
Smiles	N#C/C(/C(c(cc1)ccc1Cl)=O)=N\Nc(cc1)cc(Cl)c1F
InChI	InChI=1S/C15H8Cl2FN3O/c16-10-3-1-9(2-4-10)15(22)14(8-19)21-20-11-5-6-13(18)12(17)7-11/h1-7,20H
InChIK	ZKULFSMYRSFHKE-UHFFFAOYSA-N
TotalMolweight	336.153
Molweight	336.153
MonoisotopicMass	335.002844
CLogP	4.7386
CLogS	-5.365
H Acceptors	4
H Donors	1
TotalSurfaceArea	244.1
Relative PSA	0.20307
PolarSurfaceArea	65.25
Druglikeness	-3.2641
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
StereoCon

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