7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one

Formula:C23H23N2O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.

MolName	7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenyl-2-(trifluoromethyl)chromen-4-one
MolecularFormula	C23H23N2O4F3
Smiles	OCCN1CCN(Cc(c(OC(C(F)(F)F)=C2c3ccccc3)c(cc3)C2=O)c3O)CC1
InChI	InChI=1S/C23H23F3N2O4/c24-23(25,26)22-19(15-4-2-1-3-5-15)20(31)16-6-7-18(30)17(21(16)32-22)14-28-10-8-27(9-11-28)12-13-29/h1-7,29-30H,8-14H2
InChIK	ODRQOTDSAOSCOZ-UHFFFAOYSA-N
TotalMolweight	448.44
Molweight	448.44
MonoisotopicMass	448.160992
CLogP	2.6529
CLogS	-3.191
H Acceptors	6
H Donors	2
TotalSurfaceArea	315.77
Relative PSA	0.17842
PolarSurfaceArea	73.24
Druglikeness	-1.9982
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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