2,4-dinitro-N-[(Z)-phenanthro[9,10-b]quinoxalin-11-ylmethylideneamino]aniline
Formula:C27H16N6O4
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
2,4-dinitro-N-[(Z)-phenanthro[9,10-b]quinoxalin-11-ylmethylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-dinitro-N-[(Z)-phenanthro[9,10-b]quinoxalin-11-ylmethylideneamino]aniline |
| MolecularFormula | C27H16N6O4 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cc2nc3c(cccc4)c4c(cccc4)c4c3nc2cc1)=O |
| InChI | InChI=1S/C27H16N6O4/c34-32(35)17-10-12-23(25(14-17)33(36)37)31-28-15-16-9-11-22-24(13-16)30-27-21-8-4-2-6-19(21)18-5-1-3-7-20(18)26(27)29-22/h1-15,31H |
| InChIK | SXWRGFMBLPZOEF-UHFFFAOYSA-N |
| TotalMolweight | 488.462 |
| Molweight | 488.462 |
| MonoisotopicMass | 488.123304 |
| CLogP | 6.2635 |
| CLogS | -8.483 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 352.5 |
| Relative PSA | 0.3 |
| PolarSurfaceArea | 141.81 |
| Druglikeness | -3.1321 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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