(Z)-N-benzyl-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide

Formula:C21H14N2O2BrCl Mutagenic:high Tumorigenic:high Reproductive Effective:low (Z)-N-benzyl-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(Z)-N-benzyl-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
MolecularFormula	C21H14N2O2BrCl
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C/c1ccc(-c(cc2)cc(Cl)c2Br)o1
InChI	InChI=1S/C21H14BrClN2O2/c22-18-8-6-15(11-19(18)23)20-9-7-17(27-20)10-16(12-24)21(26)25-13-14-4-2-1-3-5-14/h1-11H,13H2,(H,25,26)
InChIK	AGGCZKGKBIXERX-UHFFFAOYSA-N
TotalMolweight	441.711
Molweight	441.711
MonoisotopicMass	439.992716
CLogP	4.9678
CLogS	-6.616
H Acceptors	4
H Donors	1
TotalSurfaceArea	305.91
Relative PSA	0.17054
PolarSurfaceArea	66.03
Druglikeness	-2.0767
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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