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

Formula:C13H7NOBr2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-3-(4,5-dibromofuran-2-yl)-2-phenylprop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(4,5-dibromofuran-2-yl)-2-phenylprop-2-enenitrile
MolecularFormula	C13H7NOBr2
Smiles	N#C/C(/c1ccccc1)=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C13H7Br2NO/c14-12-7-11(17-13(12)15)6-10(8-16)9-4-2-1-3-5-9/h1-7H/b10-6+
InChIK	MBAQYNDMPKNVCZ-UXBLZVDNSA-N
TotalMolweight	353.013
Molweight	353.013
MonoisotopicMass	350.889436
CLogP	4.0691
CLogS	-4.742
H Acceptors	2
TotalSurfaceArea	206.39
Relative PSA	0.13407
PolarSurfaceArea	36.93
Druglikeness	-10.368
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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