(8Z)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one
Formula:C17H10NO5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(8Z)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one is a drug-like molecule.
| MolName | (8Z)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one |
| MolecularFormula | C17H10NO5Br |
| Smiles | O=C1Nc2ccc3OCOc3c2/C1=C/c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C17H10BrNO5/c18-10-5-14-13(22-6-23-14)4-8(10)3-9-15-11(19-17(9)20)1-2-12-16(15)24-7-21-12/h1-5H,6-7H2,(H,19,20) |
| InChIK | ZJFBACMWMSCCKF-UHFFFAOYSA-N |
| TotalMolweight | 388.172 |
| Molweight | 388.172 |
| MonoisotopicMass | 386.974235 |
| CLogP | 3.2137 |
| CLogS | -5.625 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 232.59 |
| Relative PSA | 0.27731 |
| PolarSurfaceArea | 66.02 |
| Druglikeness | 0.8105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (8Z)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one | 2 - (8Z)-8-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one
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