(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromo-5-iodofuran-2-yl)prop-2-enenitrile

Formula:C14H7N3OBrI Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-(1H-benzimidazol-2-yl)-3-(4-bromo-5-iodofuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1H-benzimidazol-2-yl)-3-(4-bromo-5-iodofuran-2-yl)prop-2-enenitrile
MolecularFormula	C14H7N3OBrI
Smiles	N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(o1)cc(Br)c1I
InChI	InChI=1S/C14H7BrIN3O/c15-10-6-9(20-13(10)16)5-8(7-17)14-18-11-3-1-2-4-12(11)19-14/h1-6H,(H,18,19)
InChIK	FAOILYXWVMKRBZ-UHFFFAOYSA-N
TotalMolweight	440.034
Molweight	440.034
MonoisotopicMass	438.881721
CLogP	3.2701
CLogS	-4.419
H Acceptors	4
H Donors	1
TotalSurfaceArea	236.97
Relative PSA	0.2221
PolarSurfaceArea	65.61
Druglikeness	-8.5496
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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