4-fluoro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
Formula:C19H11N2O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-fluoro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide |
| MolecularFormula | C19H11N2O2F |
| Smiles | O=C(c(cc1)ccc1F)N/N=C(/c1cccc2cccc3c12)\C3=O |
| InChI | InChI=1S/C19H11FN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24) |
| InChIK | OBIWWRZMFRUBLY-UHFFFAOYSA-N |
| TotalMolweight | 318.306 |
| Molweight | 318.306 |
| MonoisotopicMass | 318.080456 |
| CLogP | 3.9347 |
| CLogS | -6.231 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.4 |
| Relative PSA | 0.21289 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 2.8611 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-fluoro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide | 2 - 4-fluoro-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
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