(2Z,4E)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylpenta-2,4-dienamide

Formula:C17H18N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z,4E)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylpenta-2,4-dienamide is a drug-like molecule.

MolName	(2Z,4E)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylpenta-2,4-dienamide
MolecularFormula	C17H18N2O2
Smiles	N#C/C(/C(NC[C@H]1OCCC1)=O)=C/C=C/c1ccccc1
InChI	InChI=1S/C17H18N2O2/c18-12-15(9-4-8-14-6-2-1-3-7-14)17(20)19-13-16-10-5-11-21-16/h1-4,6-9,16H,5,10-11,13H2,(H,19,20)/t16-/m0/s1
InChIK	PSSQOSPRNFYUDV-INIZCTEOSA-N
TotalMolweight	282.342
Molweight	282.342
MonoisotopicMass	282.136828
CLogP	2.236
CLogS	-3.26
H Acceptors	4
H Donors	1
TotalSurfaceArea	239.43
Relative PSA	0.20073
PolarSurfaceArea	62.12
Druglikeness	-2.356
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

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