4-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 4-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H15N3O |
| Smiles | Nc(cc1)ccc1C(N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C16H15N3O/c17-15-10-8-14(9-11-15)16(20)19-18-12-4-7-13-5-2-1-3-6-13/h1-12H,17H2,(H,19,20) |
| InChIK | ZEFVWVLAAHAGBG-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 2.5426 |
| CLogS | -4.089 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 222.01 |
| Relative PSA | 0.23098 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 4.3905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 4-amino-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off