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

Formula:C20H20N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7,8-dihydroxychromen-2-one
MolecularFormula	C20H20N2O4F
Smiles	Oc(ccc(C(C[NH+](CC1)CCN1c(cc1)ccc1F)=C1)c2OC1=O)c2O
InChI	InChI=1S/C20H19FN2O4/c21-14-1-3-15(4-2-14)23-9-7-22(8-10-23)12-13-11-18(25)27-20-16(13)5-6-17(24)19(20)26/h1-6,11,24,26H,7-10,12H2/p+1
InChIK	HPUMYCJKUANHOF-UHFFFAOYSA-O
TotalMolweight	371.387
Molweight	371.387
MonoisotopicMass	371.140711
CLogP	-0.2576
CLogS	-2.358
H Acceptors	6
H Donors	3
TotalSurfaceArea	280.97
Relative PSA	0.25049
PolarSurfaceArea	74.44
Druglikeness	-1.5062
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59259
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	4
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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