(Z)-2-(4-chlorophenyl)-3-(4,5-dibromofuran-2-yl)prop-2-enenitrile

Formula:C13H6NOBr2Cl Mutagenic:high Tumorigenic:low Reproductive Effective:low (Z)-2-(4-chlorophenyl)-3-(4,5-dibromofuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(4-chlorophenyl)-3-(4,5-dibromofuran-2-yl)prop-2-enenitrile
MolecularFormula	C13H6NOBr2Cl
Smiles	N#C/C(/c(cc1)ccc1Cl)=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C13H6Br2ClNO/c14-12-6-11(18-13(12)15)5-9(7-17)8-1-3-10(16)4-2-8/h1-6H
InChIK	VZLZCQUXHUQKOF-UHFFFAOYSA-N
TotalMolweight	387.458
Molweight	387.458
MonoisotopicMass	384.850463
CLogP	4.6751
CLogS	-5.478
H Acceptors	2
TotalSurfaceArea	221.81
Relative PSA	0.12475
PolarSurfaceArea	36.93
Druglikeness	-10.248
Mutagenic	high
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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