(Z)-3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile

Formula:C14H8N2Cl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (Z)-3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
MolecularFormula	C14H8N2Cl2
Smiles	N#C/C(/c1ncccc1)=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C14H8Cl2N2/c15-12-4-3-5-13(16)11(12)8-10(9-17)14-6-1-2-7-18-14/h1-8H
InChIK	BZYWZSKVQGKCJK-UHFFFAOYSA-N
TotalMolweight	275.138
Molweight	275.138
MonoisotopicMass	274.006452
CLogP	3.5977
CLogS	-4.33
H Acceptors	2
TotalSurfaceArea	209.04
Relative PSA	0.11735
PolarSurfaceArea	36.68
Druglikeness	-4.9679
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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