N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(4-nitrophenoxy)methyl]benzamide
Formula:C21H15N3O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(4-nitrophenoxy)methyl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-[(4-nitrophenoxy)methyl]benzamide |
| MolecularFormula | C21H15N3O4F2 |
| Smiles | [O-][N+](c(cc1)ccc1OCc(cc1)ccc1C(N/N=C\c(c(F)ccc1)c1F)=O)=O |
| InChI | InChI=1S/C21H15F2N3O4/c22-19-2-1-3-20(23)18(19)12-24-25-21(27)15-6-4-14(5-7-15)13-30-17-10-8-16(9-11-17)26(28)29/h1-12H,13H2,(H,25,27) |
| InChIK | ADWQQKPQEBVISW-UHFFFAOYSA-N |
| TotalMolweight | 411.363 |
| Molweight | 411.363 |
| MonoisotopicMass | 411.103063 |
| CLogP | 3.8297 |
| CLogS | -6.15 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.88 |
| Relative PSA | 0.24905 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.4557 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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