N-[(Z)-(2,4-dichlorophenyl)methylideneamino]phenanthridin-6-amine
Formula:C20H13N3Cl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]phenanthridin-6-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]phenanthridin-6-amine |
| MolecularFormula | C20H13N3Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc3ccccc3c3ccccc23)cc1 |
| InChI | InChI=1S/C20H13Cl2N3/c21-14-10-9-13(18(22)11-14)12-23-25-20-17-7-2-1-5-15(17)16-6-3-4-8-19(16)24-20/h1-12H,(H,24,25) |
| InChIK | JKVLITMWOAMKGI-UHFFFAOYSA-N |
| TotalMolweight | 366.25 |
| Molweight | 366.25 |
| MonoisotopicMass | 365.048651 |
| CLogP | 7.9147 |
| CLogS | -7.458 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 268.04 |
| Relative PSA | 0.12662 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]phenanthridin-6-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]phenanthridin-6-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off