N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-nitroaniline
Formula:C15H11N3O4F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-nitroaniline |
| MolecularFormula | C15H11N3O4F4 |
| Smiles | [O-][N+](c(cccc1)c1N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F)=O |
| InChI | InChI=1S/C15H11F4N3O4/c16-14(17)25-10-6-5-9(13(7-10)26-15(18)19)8-20-21-11-3-1-2-4-12(11)22(23)24/h1-8,14-15,21H |
| InChIK | NBKYDPLVHAXLBW-UHFFFAOYSA-N |
| TotalMolweight | 373.261 |
| Molweight | 373.261 |
| MonoisotopicMass | 373.068569 |
| CLogP | 4.2581 |
| CLogS | -4.853 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 263.31 |
| Relative PSA | 0.27872 |
| PolarSurfaceArea | 88.67 |
| Druglikeness | -5.975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-nitroaniline | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-nitroaniline
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