N-[(Z)-[3-(2-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylideneamino]aniline
Formula:C20H15N4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-(2-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[3-(2-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylideneamino]aniline |
| MolecularFormula | C20H15N4Cl |
| Smiles | Clc(cccc1)c1-c1nc(/C=N\Nc2ccccc2)c2n1cccc2 |
| InChI | InChI=1S/C20H15ClN4/c21-17-11-5-4-10-16(17)20-23-18(19-12-6-7-13-25(19)20)14-22-24-15-8-2-1-3-9-15/h1-14,24H |
| InChIK | AUSBGUCAZPMGND-UHFFFAOYSA-N |
| TotalMolweight | 346.82 |
| Molweight | 346.82 |
| MonoisotopicMass | 346.098523 |
| CLogP | 6.2421 |
| CLogS | -7.076 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.43 |
| Relative PSA | 0.15606 |
| PolarSurfaceArea | 41.69 |
| Druglikeness | 3.7021 |
| Mutagenic | none |
| Tumorigenic | high |
| 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 | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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