N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
Formula:C13H5N3O2ClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline |
| MolecularFormula | C13H5N3O2ClF5 |
| Smiles | [O-][N+](c(cc(/C=N\Nc(c(F)c(c(F)c1F)F)c1F)cc1)c1Cl)=O |
| InChI | InChI=1S/C13H5ClF5N3O2/c14-6-2-1-5(3-7(6)22(23)24)4-20-21-13-11(18)9(16)8(15)10(17)12(13)19/h1-4,21H |
| InChIK | HOFXEXPZXVPOEU-UHFFFAOYSA-N |
| TotalMolweight | 365.645 |
| Molweight | 365.645 |
| MonoisotopicMass | 364.999044 |
| CLogP | 5.0293 |
| CLogS | -5.915 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 240.08 |
| Relative PSA | 0.22238 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -4.4442 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2,3,4,5,6-pentafluoroaniline
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