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

Formula:C23H22N2O4ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.

MolName	3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one
MolecularFormula	C23H22N2O4ClF3
Smiles	OCCN1CCN(Cc(c(OC(C(F)(F)F)=C2c(cc3)ccc3Cl)c(cc3)C2=O)c3O)CC1
InChI	InChI=1S/C23H22ClF3N2O4/c24-15-3-1-14(2-4-15)19-20(32)16-5-6-18(31)17(21(16)33-22(19)23(25,26)27)13-29-9-7-28(8-10-29)11-12-30/h1-6,30-31H,7-13H2
InChIK	OBBQPDZNWBFFIJ-UHFFFAOYSA-N
TotalMolweight	482.885
Molweight	482.885
MonoisotopicMass	482.122019
CLogP	3.2589
CLogS	-3.927
H Acceptors	6
H Donors	2
TotalSurfaceArea	331.19
Relative PSA	0.17011
PolarSurfaceArea	73.24
Druglikeness	-1.9708
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
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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