N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-nitrobenzamide
Formula:C14H9N3O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C14H9N3O3ClF |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(c(F)ccc1)c1Cl)=O)=O |
| InChI | InChI=1S/C14H9ClFN3O3/c15-12-2-1-3-13(16)11(12)8-17-18-14(20)9-4-6-10(7-5-9)19(21)22/h1-8H,(H,18,20) |
| InChIK | HVBWTWVDNQNWMF-UHFFFAOYSA-N |
| TotalMolweight | 321.694 |
| Molweight | 321.694 |
| MonoisotopicMass | 321.031647 |
| CLogP | 2.9868 |
| CLogS | -5.231 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 232.43 |
| Relative PSA | 0.28581 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.0712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-nitrobenzamide
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