6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Formula:C20H21N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one is a drug-like molecule.

MolName	6,7-dihydroxy-4-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one
MolecularFormula	C20H21N2O5
Smiles	Oc(cccc1)c1N1CC[NH+](CC(c(cc(c(O)c2)O)c2O2)=CC2=O)CC1
InChI	InChI=1S/C20H20N2O5/c23-16-4-2-1-3-15(16)22-7-5-21(6-8-22)12-13-9-20(26)27-19-11-18(25)17(24)10-14(13)19/h1-4,9-11,23-25H,5-8,12H2/p+1
InChIK	SAMSAHLNEKLYRX-UHFFFAOYSA-O
TotalMolweight	369.396
Molweight	369.396
MonoisotopicMass	369.145048
CLogP	-0.7041
CLogS	-1.748
H Acceptors	7
H Donors	4
TotalSurfaceArea	280.97
Relative PSA	0.29711
PolarSurfaceArea	94.67
Druglikeness	-0.16622
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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