4-amino-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Formula:C21H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C21H19N3O2 |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C21H19N3O2/c22-19-11-9-18(10-12-19)21(25)24-23-14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15,22H2,(H,24,25) |
| InChIK | ZNQOILCEAMSEAE-UHFFFAOYSA-N |
| TotalMolweight | 345.401 |
| Molweight | 345.401 |
| MonoisotopicMass | 345.147727 |
| CLogP | 3.8724 |
| CLogS | -5.138 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 279.03 |
| Relative PSA | 0.21962 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | 3.9769 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-amino-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide | 2 - 4-amino-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off