4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one

Formula:C20H20N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one
MolecularFormula	C20H20N2O3Cl
Smiles	Oc(cc1)cc(O2)c1C(C[NH+](CC1)CCN1c1cccc(Cl)c1)=CC2=O
InChI	InChI=1S/C20H19ClN2O3/c21-15-2-1-3-16(11-15)23-8-6-22(7-9-23)13-14-10-20(25)26-19-12-17(24)4-5-18(14)19/h1-5,10-12,24H,6-9,13H2/p+1
InChIK	RGKKHICENIILRF-UHFFFAOYSA-O
TotalMolweight	371.843
Molweight	371.843
MonoisotopicMass	371.116245
CLogP	0.5933
CLogS	-3.076
H Acceptors	5
H Donors	2
TotalSurfaceArea	283.69
Relative PSA	0.20191
PolarSurfaceArea	54.21
Druglikeness	-0.089638
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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