N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
Formula:C20H16N3O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide |
| MolecularFormula | C20H16N3O2Br |
| Smiles | C#CCOc(cc1)c(/C=N\NC(Cc2c[nH]c3c2cccc3)=O)cc1Br |
| InChI | InChI=1S/C20H16BrN3O2/c1-2-9-26-19-8-7-16(21)10-15(19)13-23-24-20(25)11-14-12-22-18-6-4-3-5-17(14)18/h1,3-8,10,12-13,22H,9,11H2,(H,24,25) |
| InChIK | QOZZLCOEVKHAII-UHFFFAOYSA-N |
| TotalMolweight | 410.27 |
| Molweight | 410.27 |
| MonoisotopicMass | 409.042588 |
| CLogP | 3.9215 |
| CLogS | -5.687 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 291.12 |
| Relative PSA | 0.2061 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | 2.9045 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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