[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] 3-(trifluoromethyl)benzoate
Formula:C19H16N3O5F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] 3-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(Z)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C19H16N3O5F3 |
| Smiles | [O-][N+](c(cc(/C=N\OC(c1cccc(C(F)(F)F)c1)=O)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C19H16F3N3O5/c20-19(21,22)15-3-1-2-14(11-15)18(26)30-23-12-13-4-5-16(17(10-13)25(27)28)24-6-8-29-9-7-24/h1-5,10-12H,6-9H2 |
| InChIK | RVGHTGIUNWZAPB-UHFFFAOYSA-N |
| TotalMolweight | 423.346 |
| Molweight | 423.346 |
| MonoisotopicMass | 423.104206 |
| CLogP | 3.5138 |
| CLogS | -5.112 |
| H Acceptors | 8 |
| TotalSurfaceArea | 300.5 |
| Relative PSA | 0.2613 |
| PolarSurfaceArea | 96.95 |
| Druglikeness | -13.604 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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