2-[3-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide
Formula:C19H17N4O3Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C19H17N4O3Br |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(COc(cc2)ccc2Br)=O)c1)=O |
| InChI | InChI=1S/C19H17BrN4O3/c20-14-5-7-15(8-6-14)27-12-19(26)23-22-9-13-10-24(11-18(21)25)17-4-2-1-3-16(13)17/h1-10H,11-12H2,(H2,21,25)(H,23,26) |
| InChIK | ZXXHDCDECZWWQX-UHFFFAOYSA-N |
| TotalMolweight | 429.273 |
| Molweight | 429.273 |
| MonoisotopicMass | 428.048402 |
| CLogP | 2.2558 |
| CLogS | -4.079 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.21 |
| Relative PSA | 0.2769 |
| PolarSurfaceArea | 98.71 |
| Druglikeness | 5.1336 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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