(E)-N-(4-bromophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide

Formula:C20H12N2O2BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(4-bromophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(4-bromophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C20H12N2O2BrCl
Smiles	N#C/C(/C(Nc(cc1)ccc1Br)=O)=C\c1ccc(-c(cc2)ccc2Cl)o1
InChI	InChI=1S/C20H12BrClN2O2/c21-15-3-7-17(8-4-15)24-20(25)14(12-23)11-18-9-10-19(26-18)13-1-5-16(22)6-2-13/h1-11H,(H,24,25)
InChIK	FOUXXZMRZOIVBP-UHFFFAOYSA-N
TotalMolweight	427.684
Molweight	427.684
MonoisotopicMass	425.977066
CLogP	5.2584
CLogS	-6.8
H Acceptors	4
H Donors	1
TotalSurfaceArea	292.15
Relative PSA	0.17857
PolarSurfaceArea	66.03
Druglikeness	-2.4933
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Amides	1
StereoCon

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