2-(hydroxymethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C17H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(hydroxymethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 2-(hydroxymethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C17H16N2O2 |
| Smiles | OCc(cccc1)c1C(N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C17H16N2O2/c20-13-15-10-4-5-11-16(15)17(21)19-18-12-6-9-14-7-2-1-3-8-14/h1-12,20H,13H2,(H,19,21) |
| InChIK | HEAPTOCSYMPTLE-UHFFFAOYSA-N |
| TotalMolweight | 280.326 |
| Molweight | 280.326 |
| MonoisotopicMass | 280.121178 |
| CLogP | 2.6226 |
| CLogS | -3.897 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 233.6 |
| Relative PSA | 0.21023 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 4.3005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(hydroxymethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 2-(hydroxymethyl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off