N-[(Z)-(3-iodophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
Formula:C18H17N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-iodophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-iodophenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide |
| MolecularFormula | C18H17N2O2I |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c1cccc(I)c1)=O |
| InChI | InChI=1S/C18H17IN2O2/c1-2-6-15-8-3-4-10-17(15)23-13-18(22)21-20-12-14-7-5-9-16(19)11-14/h2-5,7-12H,1,6,13H2,(H,21,22) |
| InChIK | SUNSDEULWQNWKS-UHFFFAOYSA-N |
| TotalMolweight | 420.245 |
| Molweight | 420.245 |
| MonoisotopicMass | 420.033476 |
| CLogP | 4.242 |
| CLogS | -5.229 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.33 |
| Relative PSA | 0.16711 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 1.8554 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| StereoCon |
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