N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(4-iodophenyl)pentanediamide
Formula:C18H17N3O2FI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(4-iodophenyl)pentanediamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(4-iodophenyl)pentanediamide |
| MolecularFormula | C18H17N3O2FI |
| Smiles | O=C(CCCC(N/N=C\c(cc1)ccc1F)=O)Nc(cc1)ccc1I |
| InChI | InChI=1S/C18H17FIN3O2/c19-14-6-4-13(5-7-14)12-21-23-18(25)3-1-2-17(24)22-16-10-8-15(20)9-11-16/h4-12H,1-3H2,(H,22,24)(H,23,25) |
| InChIK | QNNXNZYNVZNBLC-UHFFFAOYSA-N |
| TotalMolweight | 453.25 |
| Molweight | 453.25 |
| MonoisotopicMass | 453.034953 |
| CLogP | 4.045 |
| CLogS | -5.665 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 290.11 |
| Relative PSA | 0.20858 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | -1.6102 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(4-iodophenyl)pentanediamide | 2 - N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(4-iodophenyl)pentanediamide
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