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C18H14O5 | Cheminformatics

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

Molecular 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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