(7-hydroxy-2-oxochromen-4-yl)methyl 4-bromobenzoate

Formula:C17H11O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (7-hydroxy-2-oxochromen-4-yl)methyl 4-bromobenzoate is a drug-like molecule.

MolName	(7-hydroxy-2-oxochromen-4-yl)methyl 4-bromobenzoate
MolecularFormula	C17H11O5Br
Smiles	Oc(cc1)cc(O2)c1C(COC(c(cc1)ccc1Br)=O)=CC2=O
InChI	InChI=1S/C17H11BrO5/c18-12-3-1-10(2-4-12)17(21)22-9-11-7-16(20)23-15-8-13(19)5-6-14(11)15/h1-8,19H,9H2
InChIK	NLQQSMJZWNRHSO-UHFFFAOYSA-N
TotalMolweight	375.173
Molweight	375.173
MonoisotopicMass	373.978986
CLogP	2.9568
CLogS	-3.71
H Acceptors	5
H Donors	1
TotalSurfaceArea	238.47
Relative PSA	0.24817
PolarSurfaceArea	72.83
Druglikeness	-4.3735
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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