3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline
Formula:C20H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C20H17N3O3 |
| Smiles | [O-][N+](c1cc(N/N=C\c(cc2)ccc2OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H17N3O3/c24-23(25)19-8-4-7-18(13-19)22-21-14-16-9-11-20(12-10-16)26-15-17-5-2-1-3-6-17/h1-14,22H,15H2 |
| InChIK | MPKBHWKMHGSKOM-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 | 0.69231 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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