2-(4-bromophenoxy)-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]acetamide
Formula:C19H15N4O2Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-(4-bromophenoxy)-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-bromophenoxy)-N-[(Z)-[1-(cyanomethyl)indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C19H15N4O2Br |
| Smiles | N#CCn1c(cccc2)c2c(/C=N\NC(COc(cc2)ccc2Br)=O)c1 |
| InChI | InChI=1S/C19H15BrN4O2/c20-15-5-7-16(8-6-15)26-13-19(25)23-22-11-14-12-24(10-9-21)18-4-2-1-3-17(14)18/h1-8,11-12H,10,13H2,(H,23,25) |
| InChIK | FLNMTAXMAQUOMS-UHFFFAOYSA-N |
| TotalMolweight | 411.258 |
| Molweight | 411.258 |
| MonoisotopicMass | 410.037837 |
| CLogP | 3.1755 |
| CLogS | -4.676 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.65 |
| Relative PSA | 0.23017 |
| PolarSurfaceArea | 79.41 |
| Druglikeness | -0.139 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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