2-fluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Formula:C16H13N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-fluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide is a drug-like molecule.
| MolName | 2-fluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide |
| MolecularFormula | C16H13N2OF |
| Smiles | O=C(c(cccc1)c1F)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C16H13FN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20) |
| InChIK | YKGIRZKCDPVRNJ-UHFFFAOYSA-N |
| TotalMolweight | 268.29 |
| Molweight | 268.29 |
| MonoisotopicMass | 268.101191 |
| CLogP | 3.3207 |
| CLogS | -4.327 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 219.84 |
| Relative PSA | 0.1638 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.1081 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-fluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide | 2 - 2-fluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
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