N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
Formula:C19H18N3O2Br
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide |
| MolecularFormula | C19H18N3O2Br |
| Smiles | O=C(Cc1ccccc1)NCC(N/N=C\C(\Br)=C\c1ccccc1)=O |
| InChI | InChI=1S/C19H18BrN3O2/c20-17(11-15-7-3-1-4-8-15)13-22-23-19(25)14-21-18(24)12-16-9-5-2-6-10-16/h1-11,13H,12,14H2,(H,21,24)(H,23,25) |
| InChIK | AMZZOPIKIVKXQD-UHFFFAOYSA-N |
| TotalMolweight | 400.275 |
| Molweight | 400.275 |
| MonoisotopicMass | 399.058238 |
| CLogP | 2.8943 |
| CLogS | -4.578 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 287.06 |
| Relative PSA | 0.21079 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.30604 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide | 2 - N-[2-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]-2-phenylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off