[4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H19N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H19N3O6 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C24H19N3O6/c28-23(17-32-22-9-5-4-8-21(22)27(30)31)26-25-16-19-10-13-20(14-11-19)33-24(29)15-12-18-6-2-1-3-7-18/h1-16H,17H2,(H,26,28) |
| InChIK | QISNETBYBKQSKR-UHFFFAOYSA-N |
| TotalMolweight | 445.43 |
| Molweight | 445.43 |
| MonoisotopicMass | 445.127387 |
| CLogP | 3.6146 |
| CLogS | -5.801 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 348.43 |
| Relative PSA | 0.28548 |
| PolarSurfaceArea | 122.81 |
| Druglikeness | -3.1366 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off