7,8-dihydroxy-4-(7-hydroxy-2-oxochromen-3-yl)chromen-2-one
Formula:C18H10O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7,8-dihydroxy-4-(7-hydroxy-2-oxochromen-3-yl)chromen-2-one is a drug-like molecule.
| MolName | 7,8-dihydroxy-4-(7-hydroxy-2-oxochromen-3-yl)chromen-2-one |
| MolecularFormula | C18H10O7 |
| Smiles | Oc(cc1)cc(O2)c1C=C(C(c(ccc(O)c1O)c1O1)=CC1=O)C2=O |
| InChI | InChI=1S/C18H10O7/c19-9-2-1-8-5-12(18(23)24-14(8)6-9)11-7-15(21)25-17-10(11)3-4-13(20)16(17)22/h1-7,19-20,22H |
| InChIK | GVSITYBAGZWOBM-UHFFFAOYSA-N |
| TotalMolweight | 338.27 |
| Molweight | 338.27 |
| MonoisotopicMass | 338.042655 |
| CLogP | 1.4989 |
| CLogS | -2.721 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 229.99 |
| Relative PSA | 0.37123 |
| PolarSurfaceArea | 113.29 |
| Druglikeness | -1.787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
Click to Load Molecule:
1 - 7,8-dihydroxy-4-(7-hydroxy-2-oxochromen-3-yl)chromen-2-one | 2 - 7,8-dihydroxy-4-(7-hydroxy-2-oxochromen-3-yl)chromen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off