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

Formula:C12H13NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-oxido-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrol-1-ium is a drug-like molecule.

MolName	1-oxido-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrol-1-ium
MolecularFormula	C12H13NO
Smiles	[O-][N+](CCC1)=C1/C=C/c1ccccc1
InChI	InChI=1S/C12H13NO/c14-13-10-4-7-12(13)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2
InChIK	DVEHXHZRWAYPPD-UHFFFAOYSA-N
TotalMolweight	187.241
Molweight	187.241
MonoisotopicMass	187.099714
CLogP	2.7608
CLogS	-0.669
H Acceptors	2
TotalSurfaceArea	156.38
Relative PSA	0.11114
PolarSurfaceArea	28.75
Druglikeness	-4.7285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	nitrone
Shape Index	0.64286
Fragments	1
Non HAtoms	14
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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