8-nitro-11H-indolo[3,2-c]cinnoline
Formula:C14H8N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-nitro-11H-indolo[3,2-c]cinnoline is a drug-like molecule.
| MolName | 8-nitro-11H-indolo[3,2-c]cinnoline |
| MolecularFormula | C14H8N4O2 |
| Smiles | [O-][N+](c(cc1)cc2c1[nH]c1c2nnc2ccccc12)=O |
| InChI | InChI=1S/C14H8N4O2/c19-18(20)8-5-6-11-10(7-8)14-13(15-11)9-3-1-2-4-12(9)16-17-14/h1-7,15H |
| InChIK | IAAFCBIOVBIPRM-UHFFFAOYSA-N |
| TotalMolweight | 264.244 |
| Molweight | 264.244 |
| MonoisotopicMass | 264.064726 |
| CLogP | 1.7039 |
| CLogS | -4.252 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 187.82 |
| Relative PSA | 0.35326 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -6.2472 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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