N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C18H17N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C18H17N4O3F3 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C\c(cc1)ccc1N1CCOCC1)=O |
| InChI | InChI=1S/C18H17F3N4O3/c19-18(20,21)14-3-6-16(17(11-14)25(26)27)23-22-12-13-1-4-15(5-2-13)24-7-9-28-10-8-24/h1-6,11-12,23H,7-10H2 |
| InChIK | DBOJEUJQDKILNX-UHFFFAOYSA-N |
| TotalMolweight | 394.352 |
| Molweight | 394.352 |
| MonoisotopicMass | 394.125275 |
| CLogP | 4.4366 |
| CLogS | -4.49 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.21 |
| Relative PSA | 0.23553 |
| PolarSurfaceArea | 82.68 |
| Druglikeness | -9.0612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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