| MolName | 2-chloro-N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N4O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(CNC(c(cccc1)c1Cl)=O)=O)=O)=O |
| InChI | InChI=1S/C16H13ClN4O5/c17-13-4-2-1-3-12(13)16(24)18-9-14(22)19-20-15(23)10-5-7-11(8-6-10)21(25)26/h1-8H,9H2,(H,18,24)(H,19,22)(H,20,23) |
| InChIK | GLXZNAMKAKYUMI-UHFFFAOYSA-N |
| TotalMolweight | 376.755 |
| Molweight | 376.755 |
| MonoisotopicMass | 376.057448 |
| CLogP | 0.3857 |
| CLogS | -4.273 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 273.5 |
| Relative PSA | 0.37996 |
| PolarSurfaceArea | 133.12 |
| Druglikeness | -2.0943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]benzamide | 2 - 2-chloro-N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]benzamide