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 : |