N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-4-nitro-2-(trifluoromethyl)aniline
Formula:C15H9N4O5F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-4-nitro-2-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-4-nitro-2-(trifluoromethyl)aniline |
| MolecularFormula | C15H9N4O5F5 |
| Smiles | [O-][N+](c(cc1)cc(C(F)(F)F)c1N/N=C\c(cc(cc1)[N+]([O-])=O)c1OC(F)F)=O |
| InChI | InChI=1S/C15H9F5N4O5/c16-14(17)29-13-4-2-9(23(25)26)5-8(13)7-21-22-12-3-1-10(24(27)28)6-11(12)15(18,19)20/h1-7,14,22H |
| InChIK | HDLPUDIYNUQKBC-UHFFFAOYSA-N |
| TotalMolweight | 420.249 |
| Molweight | 420.249 |
| MonoisotopicMass | 420.049311 |
| CLogP | 4.0154 |
| CLogS | -5.469 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 281.24 |
| Relative PSA | 0.33356 |
| PolarSurfaceArea | 125.26 |
| Druglikeness | -10.125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-4-nitro-2-(trifluoromethyl)aniline | 2 - N-[(Z)-[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]-4-nitro-2-(trifluoromethyl)aniline
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