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

Formula:C23H22N2O5BrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-bromophenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.

MolName	3-(2-bromophenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)chromen-4-one
MolecularFormula	C23H22N2O5BrF3
Smiles	OCCN1CCN(Cc(c(OC(C(F)(F)F)=C2Oc(cccc3)c3Br)c(cc3)C2=O)c3O)CC1
InChI	InChI=1S/C23H22BrF3N2O5/c24-16-3-1-2-4-18(16)33-21-19(32)14-5-6-17(31)15(20(14)34-22(21)23(25,26)27)13-29-9-7-28(8-10-29)11-12-30/h1-6,30-31H,7-13H2
InChIK	XIJGAIUOWLJJIK-UHFFFAOYSA-N
TotalMolweight	543.335
Molweight	543.335
MonoisotopicMass	542.066418
CLogP	3.5685
CLogS	-4.456
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.4
Relative PSA	0.19262
PolarSurfaceArea	82.47
Druglikeness	-4.0256
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	14
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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