N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
Formula:C14H9N4O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C14H9N4O5Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc(cc1)[N+]([O-])=O)c1Cl)=O)=O |
| InChI | InChI=1S/C14H9ClN4O5/c15-13-6-5-12(19(23)24)7-10(13)8-16-17-14(20)9-1-3-11(4-2-9)18(21)22/h1-8H,(H,17,20) |
| InChIK | AVDQHIQKQLWNMR-UHFFFAOYSA-N |
| TotalMolweight | 348.701 |
| Molweight | 348.701 |
| MonoisotopicMass | 348.026148 |
| CLogP | 1.9644 |
| CLogS | -5.377 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 249.75 |
| Relative PSA | 0.38779 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
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