4-(6-bromo-2-oxochromen-3-yl)-7-hydroxychromen-2-one

Formula:C18H9O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-(6-bromo-2-oxochromen-3-yl)-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-(6-bromo-2-oxochromen-3-yl)-7-hydroxychromen-2-one
MolecularFormula	C18H9O5Br
Smiles	Oc(cc1)cc(O2)c1C(C1=Cc(cc(cc3)Br)c3OC1=O)=CC2=O
InChI	InChI=1S/C18H9BrO5/c19-10-1-4-15-9(5-10)6-14(18(22)24-15)13-8-17(21)23-16-7-11(20)2-3-12(13)16/h1-8,20H
InChIK	QNRUODVMKCRWJS-UHFFFAOYSA-N
TotalMolweight	385.168
Molweight	385.168
MonoisotopicMass	383.963336
CLogP	2.9155
CLogS	-4.147
H Acceptors	5
H Donors	1
TotalSurfaceArea	235.92
Relative PSA	0.25085
PolarSurfaceArea	72.83
Druglikeness	-3.577
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
StereoCon

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