6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Formula:C16H21N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one is a drug-like molecule.

MolName	6-chloro-7-hydroxy-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one
MolecularFormula	C16H21N2O4Cl
Smiles	OCC[NH+]1CC[NH+](CC(c(c(O2)c3)cc(Cl)c3O)=CC2=O)CC1
InChI	InChI=1S/C16H19ClN2O4/c17-13-8-12-11(7-16(22)23-15(12)9-14(13)21)10-19-3-1-18(2-4-19)5-6-20/h7-9,20-21H,1-6,10H2/p+2
InChIK	FHMPGFYGLIFXQW-UHFFFAOYSA-P
TotalMolweight	340.806
Molweight	340.806
MonoisotopicMass	340.118985
CLogP	-3.532
CLogS	-1.024
H Acceptors	6
H Donors	4
TotalSurfaceArea	271.84
Relative PSA	0.31055
PolarSurfaceArea	75.64
Druglikeness	-2.7832
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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