1-oxido-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3,4-dihydro-2H-pyrrol-1-ium

Formula:C14H15NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-oxido-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3,4-dihydro-2H-pyrrol-1-ium is a drug-like molecule.

MolName	1-oxido-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-3,4-dihydro-2H-pyrrol-1-ium
MolecularFormula	C14H15NO
Smiles	[O-][N+](CCC1)=C1/C=C/C=C/c1ccccc1
InChI	InChI=1S/C14H15NO/c16-15-12-6-11-14(15)10-5-4-9-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIK	GDYVRHUFZSBPOD-UHFFFAOYSA-N
TotalMolweight	213.279
Molweight	213.279
MonoisotopicMass	213.115364
CLogP	3.4174
CLogS	-0.981
H Acceptors	2
TotalSurfaceArea	182.88
Relative PSA	0.095035
PolarSurfaceArea	28.75
Druglikeness	-4.387
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	nitrone
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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