N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C15H12N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C15H12N3O3F |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c(cc2)ccc2F)=O)cc1)=O |
| InChI | InChI=1S/C15H12FN3O3/c16-13-5-1-12(2-6-13)10-17-18-15(20)9-11-3-7-14(8-4-11)19(21)22/h1-8,10H,9H2,(H,18,20) |
| InChIK | NGIFMXNFMCMHGR-UHFFFAOYSA-N |
| TotalMolweight | 301.276 |
| Molweight | 301.276 |
| MonoisotopicMass | 301.08627 |
| CLogP | 2.3789 |
| CLogS | -4.46 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 230.77 |
| Relative PSA | 0.28786 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -2.1341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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