4-fluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
Formula:C15H10N3O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C15H10N3O5F |
| Smiles | [O-][N+](c1c(/C=N\NC(c(cc2)ccc2F)=O)cc2OCOc2c1)=O |
| InChI | InChI=1S/C15H10FN3O5/c16-11-3-1-9(2-4-11)15(20)18-17-7-10-5-13-14(24-8-23-13)6-12(10)19(21)22/h1-7H,8H2,(H,18,20) |
| InChIK | RQPMOLZHGPXCFE-UHFFFAOYSA-N |
| TotalMolweight | 331.258 |
| Molweight | 331.258 |
| MonoisotopicMass | 331.06045 |
| CLogP | 2.4922 |
| CLogS | -5.206 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 237.27 |
| Relative PSA | 0.36427 |
| PolarSurfaceArea | 105.74 |
| Druglikeness | -2.2615 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-fluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide | 2 - 4-fluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
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