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

Formula:C22H23N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-4-one is a drug-like molecule.

MolName	3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-4-one
MolecularFormula	C22H23N2O4Cl
Smiles	OCCN1CCN(Cc(c(OC=C2c(cc3)ccc3Cl)c(cc3)C2=O)c3O)CC1
InChI	InChI=1S/C22H23ClN2O4/c23-16-3-1-15(2-4-16)19-14-29-22-17(21(19)28)5-6-20(27)18(22)13-25-9-7-24(8-10-25)11-12-26/h1-6,14,26-27H,7-13H2
InChIK	FYQSUVUWJCYYDI-UHFFFAOYSA-N
TotalMolweight	414.888
Molweight	414.888
MonoisotopicMass	414.134635
CLogP	2.1055
CLogS	-2.931
H Acceptors	6
H Donors	2
TotalSurfaceArea	303.52
Relative PSA	0.18562
PolarSurfaceArea	73.24
Druglikeness	7.1356
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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