4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one

Formula:C20H20N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one
MolecularFormula	C20H20N2O4Cl
Smiles	Oc(ccc(C(C[NH+](CC1)CCN1c1cccc(Cl)c1)=C1)c2OC1=O)c2O
InChI	InChI=1S/C20H19ClN2O4/c21-14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-10-18(25)27-20-16(13)4-5-17(24)19(20)26/h1-5,10-11,24,26H,6-9,12H2/p+1
InChIK	IXFSHHDRVOOJGA-UHFFFAOYSA-O
TotalMolweight	387.842
Molweight	387.842
MonoisotopicMass	387.11116
CLogP	0.2476
CLogS	-2.78
H Acceptors	6
H Donors	3
TotalSurfaceArea	290.04
Relative PSA	0.24266
PolarSurfaceArea	74.44
Druglikeness	-0.089638
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	9
Symmetricatoms	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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