2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C17H16N7O2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C17H16N7O2Br |
| Smiles | Nc1nnnn1CC(N/N=C\c(cc(cc1)Br)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C17H16BrN7O2/c18-14-6-7-15(27-11-12-4-2-1-3-5-12)13(8-14)9-20-21-16(26)10-25-17(19)22-23-24-25/h1-9H,10-11H2,(H,21,26)(H2,19,22,24) |
| InChIK | CZDZRUXZKDQAHS-UHFFFAOYSA-N |
| TotalMolweight | 430.265 |
| Molweight | 430.265 |
| MonoisotopicMass | 429.054884 |
| CLogP | 2.2538 |
| CLogS | -5.041 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 296.9 |
| Relative PSA | 0.34038 |
| PolarSurfaceArea | 120.31 |
| Druglikeness | 2.0333 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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