2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxychromen-4-one

Formula:C18H14O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxychromen-4-one is a drug-like molecule.

MolName	2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxychromen-4-one
MolecularFormula	C18H14O5
Smiles	Oc(cc1)cc(OC(c(cc2)cc3c2OCCCO3)=C2)c1C2=O
InChI	InChI=1S/C18H14O5/c19-12-3-4-13-14(20)10-16(23-17(13)9-12)11-2-5-15-18(8-11)22-7-1-6-21-15/h2-5,8-10,19H,1,6-7H2
InChIK	TVFBPUIRZFKSFV-UHFFFAOYSA-N
TotalMolweight	310.304
Molweight	310.304
MonoisotopicMass	310.084125
CLogP	3.3479
CLogS	-3.9
H Acceptors	5
H Donors	1
TotalSurfaceArea	226.11
Relative PSA	0.24829
PolarSurfaceArea	64.99
Druglikeness	-0.10185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
StereoCon

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