(Z)-2-(4-bromophenyl)-3-pyridin-3-ylprop-2-enenitrile

Formula:C14H9N2Br Mutagenic:none Tumorigenic:low Reproductive Effective:low (Z)-2-(4-bromophenyl)-3-pyridin-3-ylprop-2-enenitrile is a drug-like molecule.

MolName(Z)-2-(4-bromophenyl)-3-pyridin-3-ylprop-2-enenitrile
MolecularFormulaC14H9N2Br
SmilesN#C/C(/c(cc1)ccc1Br)=C\c1cnccc1
InChIInChI=1S/C14H9BrN2/c15-14-5-3-12(4-6-14)13(9-16)8-11-2-1-7-17-10-11/h1-8,10H
InChIKPJHYWQHGIKTOMR-UHFFFAOYSA-N
TotalMolweight285.143
Molweight285.143
MonoisotopicMass283.994909
CLogP3.0569
CLogS-3.668
H Acceptors2
TotalSurfaceArea196.83
Relative PSA0.12463
PolarSurfaceArea36.68
Druglikeness-6.8698
Mutagenicnone
Tumorigeniclow
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.64706
Fragments1
Non HAtoms17
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms2
Aromatic Nitrogens1
StereoCon

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