(Z)-N-[(2-fluorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine
Formula:C18H18N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(2-fluorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(2-fluorophenyl)methoxy]-1-(4-morpholin-4-yl-3-nitrophenyl)methanimine |
| MolecularFormula | C18H18N3O4F |
| Smiles | [O-][N+](c(cc(/C=N\OCc(cccc1)c1F)cc1)c1N1CCOCC1)=O |
| InChI | InChI=1S/C18H18FN3O4/c19-16-4-2-1-3-15(16)13-26-20-12-14-5-6-17(18(11-14)22(23)24)21-7-9-25-10-8-21/h1-6,11-12H,7-10,13H2 |
| InChIK | YRUOIYWMCBOUTQ-UHFFFAOYSA-N |
| TotalMolweight | 359.356 |
| Molweight | 359.356 |
| MonoisotopicMass | 359.128135 |
| CLogP | 2.6839 |
| CLogS | -4.519 |
| H Acceptors | 7 |
| TotalSurfaceArea | 273.4 |
| Relative PSA | 0.2395 |
| PolarSurfaceArea | 79.88 |
| Druglikeness | -4.2639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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