1-[(1E,3E)-5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline

Formula:C23H25N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(1E,3E)-5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline is a drug-like molecule.

MolName	1-[(1E,3E)-5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline
MolecularFormula	C23H25N2
Smiles	C(C1)CN(/C=C/C=C/C=[N+](\CCC2)/c3c2cccc3)c2c1cccc2
InChI	InChI=1S/C23H25N2/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25/h1-7,10-11,14-17H,8-9,12-13,18-19H2/q+1
InChIK	ZXCYBWJROZUAMM-UHFFFAOYSA-N
TotalMolweight	329.466
Molweight	329.466
MonoisotopicMass	329.201773
CLogP	4.0758
CLogS	-5.161
H Acceptors	2
TotalSurfaceArea	266.68
Relative PSA	-0.0061872
PolarSurfaceArea	6.25
Druglikeness	0.75755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
StereoCon

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1 - 1-[(1E,3E)-5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline | 2 - 1-[(1E,3E)-5-(3,4-dihydro-2H-quinolin-1-ium-1-ylidene)penta-1,3-dienyl]-3,4-dihydro-2H-quinoline

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