N-[(E)-(2-phenanthridin-5-ium-5-yl-1-phenylethylidene)amino]aniline
Formula:C27H22N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(2-phenanthridin-5-ium-5-yl-1-phenylethylidene)amino]aniline is a drug-like molecule.
| MolName | N-[(E)-(2-phenanthridin-5-ium-5-yl-1-phenylethylidene)amino]aniline |
| MolecularFormula | C27H22N3 |
| Smiles | C(/C(/c1ccccc1)=N/Nc1ccccc1)[n+]1cc2ccccc2c2ccccc12 |
| InChI | InChI=1S/C27H22N3/c1-3-11-21(12-4-1)26(29-28-23-14-5-2-6-15-23)20-30-19-22-13-7-8-16-24(22)25-17-9-10-18-27(25)30/h1-19,28H,20H2/q+1 |
| InChIK | ZLWKOXYTPRYWSJ-UHFFFAOYSA-N |
| TotalMolweight | 388.493 |
| Molweight | 388.493 |
| MonoisotopicMass | 388.181372 |
| CLogP | 3.304 |
| CLogS | -6.121 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.47 |
| Relative PSA | 0.083683 |
| PolarSurfaceArea | 28.27 |
| Druglikeness | 0.74993 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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