(2R)-1-(2-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Formula:C18H22N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2R)-1-(2-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is a drug-like molecule.

MolName	(2R)-1-(2-chlorophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
MolecularFormula	C18H22N3O2Cl
Smiles	O[C@H](CN(CC1)CCN1c1ncccc1)COc(cccc1)c1Cl
InChI	InChI=1S/C18H22ClN3O2/c19-16-5-1-2-6-17(16)24-14-15(23)13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8,15,23H,9-14H2/t15-/m1/s1
InChIK	BPQGVGUVQRMDHL-OAHLLOKOSA-N
TotalMolweight	347.845
Molweight	347.845
MonoisotopicMass	347.140054
CLogP	2.2521
CLogS	-2.808
H Acceptors	5
H Donors	1
TotalSurfaceArea	265.71
Relative PSA	0.15494
PolarSurfaceArea	48.83
Druglikeness	6.8024
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon	this enantiomer

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