4-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline
Formula:C19H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C19H15N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C19H15N3O3/c23-22(24)17-11-9-16(10-12-17)21-20-14-15-5-4-8-19(13-15)25-18-6-2-1-3-7-18/h1-14,21H |
| InChIK | VNYGGQMKMWKIRG-UHFFFAOYSA-N |
| TotalMolweight | 333.346 |
| Molweight | 333.346 |
| MonoisotopicMass | 333.111342 |
| CLogP | 5.3149 |
| CLogS | -5.906 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.67 |
| Relative PSA | 0.24133 |
| PolarSurfaceArea | 79.44 |
| Druglikeness | -3.2686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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