2-[2-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenoxy]acetate

Formula:C18H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[2-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]phenoxy]acetate
MolecularFormula	C18H20N4O3
Smiles	[O-]C(COc1c(/C=N\N(CC2)CCN2c2[nH+]cccc2)cccc1)=O
InChI	InChI=1S/C18H20N4O3/c23-18(24)14-25-16-6-2-1-5-15(16)13-20-22-11-9-21(10-12-22)17-7-3-4-8-19-17/h1-8,13H,9-12,14H2,(H,23,24)
InChIK	SMWFOTFVJKUOBP-UHFFFAOYSA-N
TotalMolweight	340.382
Molweight	340.382
MonoisotopicMass	340.153541
CLogP	-0.9287
CLogS	-2.701
H Acceptors	7
H Donors	1
TotalSurfaceArea	256.75
Relative PSA	0.21784
PolarSurfaceArea	82.34
Druglikeness	5.8657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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