N-[(Z)-(3-nitrophenyl)methylideneamino]phenanthridin-6-amine
Formula:C20H14N4O2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]phenanthridin-6-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]phenanthridin-6-amine |
| MolecularFormula | C20H14N4O2 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nc3ccccc3c3ccccc23)ccc1)=O |
| InChI | InChI=1S/C20H14N4O2/c25-24(26)15-7-5-6-14(12-15)13-21-23-20-18-10-2-1-8-16(18)17-9-3-4-11-19(17)22-20/h1-13H,(H,22,23) |
| InChIK | AQVCGCQDPOMQBN-UHFFFAOYSA-N |
| TotalMolweight | 342.357 |
| Molweight | 342.357 |
| MonoisotopicMass | 342.111676 |
| CLogP | 5.6107 |
| CLogS | -6.446 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.87 |
| Relative PSA | 0.24671 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1321 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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