N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-nitrobenzamide
Formula:C14H9N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C14H9N3O3F2 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(ccc(F)c1)c1F)=O)=O |
| InChI | InChI=1S/C14H9F2N3O3/c15-11-4-1-10(13(16)7-11)8-17-18-14(20)9-2-5-12(6-3-9)19(21)22/h1-8H,(H,18,20) |
| InChIK | NAZPATIACJHFGI-UHFFFAOYSA-N |
| TotalMolweight | 305.239 |
| Molweight | 305.239 |
| MonoisotopicMass | 305.061198 |
| CLogP | 2.4816 |
| CLogS | -4.809 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.36 |
| Relative PSA | 0.29741 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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