4-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline
Formula:C20H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C20H17N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C20H17N3O3/c24-23(25)19-10-8-18(9-11-19)22-21-14-16-6-12-20(13-7-16)26-15-17-4-2-1-3-5-17/h1-14,22H,15H2 |
| InChIK | GJCOUEPHBYOHMP-UHFFFAOYSA-N |
| TotalMolweight | 347.373 |
| Molweight | 347.373 |
| MonoisotopicMass | 347.126992 |
| CLogP | 5.2674 |
| CLogS | -4.95 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.43 |
| Relative PSA | 0.22932 |
| PolarSurfaceArea | 79.44 |
| Druglikeness | -3.5799 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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