8-bromo-11H-indolo[3,2-c]cinnoline
Formula:C14H8N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-bromo-11H-indolo[3,2-c]cinnoline is a drug-like molecule.
| MolName | 8-bromo-11H-indolo[3,2-c]cinnoline |
| MolecularFormula | C14H8N3Br |
| Smiles | Brc(cc1)cc2c1[nH]c1c2nnc2ccccc12 |
| InChI | InChI=1S/C14H8BrN3/c15-8-5-6-11-10(7-8)14-13(16-11)9-3-1-2-4-12(9)17-18-14/h1-7,16H |
| InChIK | DNPGYKKXIOQETE-UHFFFAOYSA-N |
| TotalMolweight | 298.143 |
| Molweight | 298.143 |
| MonoisotopicMass | 296.990158 |
| CLogP | 3.3507 |
| CLogS | -4.626 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.78 |
| Relative PSA | 0.19658 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -2.618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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