3-chloro-8-nitro-11H-indolo[3,2-c]cinnoline
Formula:C14H7N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-8-nitro-11H-indolo[3,2-c]cinnoline is a drug-like molecule.
| MolName | 3-chloro-8-nitro-11H-indolo[3,2-c]cinnoline |
| MolecularFormula | C14H7N4O2Cl |
| Smiles | [O-][N+](c(cc1)cc2c1[nH]c1c(ccc(Cl)c3)c3nnc12)=O |
| InChI | InChI=1S/C14H7ClN4O2/c15-7-1-3-9-12(5-7)17-18-14-10-6-8(19(20)21)2-4-11(10)16-13(9)14/h1-6,16H |
| InChIK | FMGYGJULTSEUJZ-UHFFFAOYSA-N |
| TotalMolweight | 298.689 |
| Molweight | 298.689 |
| MonoisotopicMass | 298.025753 |
| CLogP | 2.3099 |
| CLogS | -4.988 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 203.24 |
| Relative PSA | 0.32646 |
| PolarSurfaceArea | 87.39 |
| Druglikeness | -6.1075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-8-nitro-11H-indolo[3,2-c]cinnoline | 2 - 3-chloro-8-nitro-11H-indolo[3,2-c]cinnoline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off