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

Formula:C22H23N2O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-bromophenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-4-one is a drug-like molecule.

MolName	3-(2-bromophenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]chromen-4-one
MolecularFormula	C22H23N2O5Br
Smiles	OCCN1CCN(Cc(c(OC=C2Oc(cccc3)c3Br)c(cc3)C2=O)c3O)CC1
InChI	InChI=1S/C22H23BrN2O5/c23-17-3-1-2-4-19(17)30-20-14-29-22-15(21(20)28)5-6-18(27)16(22)13-25-9-7-24(8-10-25)11-12-26/h1-6,14,26-27H,7-13H2
InChIK	VITYHRVVKKGWNT-UHFFFAOYSA-N
TotalMolweight	475.338
Molweight	475.338
MonoisotopicMass	474.079034
CLogP	2.4151
CLogS	-3.46
H Acceptors	7
H Donors	2
TotalSurfaceArea	316.73
Relative PSA	0.20945
PolarSurfaceArea	82.47
Druglikeness	5.0055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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