(2Z,4E)-2-(4-bromophenyl)-5-phenylpenta-2,4-dienenitrile

Formula:C17H12NBr Mutagenic:none Tumorigenic:low Reproductive Effective:low (2Z,4E)-2-(4-bromophenyl)-5-phenylpenta-2,4-dienenitrile is a drug-like molecule.

MolName	(2Z,4E)-2-(4-bromophenyl)-5-phenylpenta-2,4-dienenitrile
MolecularFormula	C17H12NBr
Smiles	N#C/C(/c(cc1)ccc1Br)=C\C=C\c1ccccc1
InChI	InChI=1S/C17H12BrN/c18-17-11-9-15(10-12-17)16(13-19)8-4-7-14-5-2-1-3-6-14/h1-12H
InChIK	FSOZYBPQSSDUMN-UHFFFAOYSA-N
TotalMolweight	310.193
Molweight	310.193
MonoisotopicMass	309.01531
CLogP	4.7144
CLogS	-4.775
H Acceptors	1
TotalSurfaceArea	224.57
Relative PSA	0.060382
PolarSurfaceArea	23.79
Druglikeness	-6.515
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
StereoCon

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