N-[(Z)-furan-2-ylmethylideneamino]-4-nitro-2-(trifluoromethyl)aniline
Formula:C12H8N3O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-4-nitro-2-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-4-nitro-2-(trifluoromethyl)aniline |
| MolecularFormula | C12H8N3O3F3 |
| Smiles | [O-][N+](c(cc1)cc(C(F)(F)F)c1N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C12H8F3N3O3/c13-12(14,15)10-6-8(18(19)20)3-4-11(10)17-16-7-9-2-1-5-21-9/h1-7,17H |
| InChIK | MGWKRBNWVAZVSN-UHFFFAOYSA-N |
| TotalMolweight | 299.208 |
| Molweight | 299.208 |
| MonoisotopicMass | 299.051776 |
| CLogP | 3.9563 |
| CLogS | -4.069 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 212.06 |
| Relative PSA | 0.31831 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | -10.424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-furan-2-ylmethylideneamino]-4-nitro-2-(trifluoromethyl)aniline | 2 - N-[(Z)-furan-2-ylmethylideneamino]-4-nitro-2-(trifluoromethyl)aniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off