| MolName | [4-[(Z)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate |
| MolecularFormula | C23H17N4O6Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1ccc(/C=N\NC(CNC(c(cccc2)c2Cl)=O)=O)cc1)=O)=O |
| InChI | InChI=1S/C23H17ClN4O6/c24-20-4-2-1-3-19(20)22(30)25-14-21(29)27-26-13-15-5-11-18(12-6-15)34-23(31)16-7-9-17(10-8-16)28(32)33/h1-13H,14H2,(H,25,30)(H,27,29) |
| InChIK | AGQVQJBPFFZIPC-UHFFFAOYSA-N |
| TotalMolweight | 480.863 |
| Molweight | 480.863 |
| MonoisotopicMass | 480.083663 |
| CLogP | 3.4002 |
| CLogS | -6.154 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 356.56 |
| Relative PSA | 0.31964 |
| PolarSurfaceArea | 142.68 |
| Druglikeness | 0.072954 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [4-[(Z)-[[2-[(2-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate