7-hydroxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Formula:C21H20N2O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-hydroxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one is a drug-like molecule.

MolName	7-hydroxy-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]chromen-2-one
MolecularFormula	C21H20N2O3F3
Smiles	Oc(cc1)cc(O2)c1C(C[NH+](CC1)CCN1c1cccc(C(F)(F)F)c1)=CC2=O
InChI	InChI=1S/C21H19F3N2O3/c22-21(23,24)15-2-1-3-16(11-15)26-8-6-25(7-9-26)13-14-10-20(28)29-19-12-17(27)4-5-18(14)19/h1-5,10-12,27H,6-9,13H2/p+1
InChIK	WADQIHHZASFRPU-UHFFFAOYSA-O
TotalMolweight	405.395
Molweight	405.395
MonoisotopicMass	405.142602
CLogP	0.8356
CLogS	-3.118
H Acceptors	5
H Donors	2
TotalSurfaceArea	297.73
Relative PSA	0.19239
PolarSurfaceArea	54.21
Druglikeness	-7.3562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
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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