(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(4-cyanophenyl)prop-2-enamide

Formula:C17H9N3OClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(4-cyanophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(4-cyanophenyl)prop-2-enamide
MolecularFormula	C17H9N3OClF
Smiles	N#C/C(/C(Nc(cc1)cc(Cl)c1F)=O)=C\c(cc1)ccc1C#N
InChI	InChI=1S/C17H9ClFN3O/c18-15-8-14(5-6-16(15)19)22-17(23)13(10-21)7-11-1-3-12(9-20)4-2-11/h1-8H,(H,22,23)
InChIK	BKLDPRMTMSLXOS-UHFFFAOYSA-N
TotalMolweight	325.729
Molweight	325.729
MonoisotopicMass	325.041817
CLogP	3.5307
CLogS	-5.593
H Acceptors	4
H Donors	1
TotalSurfaceArea	252.13
Relative PSA	0.20474
PolarSurfaceArea	76.68
Druglikeness	-3.0415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	2
Amides	1
StereoCon

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