2-[[2-[(E)-2-cyanoethenyl]phenoxy]methyl]benzonitrile

Formula:C17H12N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2-[(E)-2-cyanoethenyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2-[(E)-2-cyanoethenyl]phenoxy]methyl]benzonitrile
MolecularFormula	C17H12N2O
Smiles	N#C/C=C/c(cccc1)c1OCc(cccc1)c1C#N
InChI	InChI=1S/C17H12N2O/c18-11-5-9-14-6-3-4-10-17(14)20-13-16-8-2-1-7-15(16)12-19/h1-10H,13H2
InChIK	RICAKKVPKXPFCQ-UHFFFAOYSA-N
TotalMolweight	260.295
Molweight	260.295
MonoisotopicMass	260.094963
CLogP	3.1795
CLogS	-4.786
H Acceptors	3
TotalSurfaceArea	226.7
Relative PSA	0.16374
PolarSurfaceArea	56.81
Druglikeness	-5.9478
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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1 - 2-[[2-[(E)-2-cyanoethenyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2-[(E)-2-cyanoethenyl]phenoxy]methyl]benzonitrile

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