N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C17H13N6O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C17H13N6O3Br |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C17H13BrN6O3/c18-13-7-15-14(26-10-27-15)6-12(13)8-19-20-16(25)9-24-22-17(21-23-24)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,25) |
| InChIK | YKDHXMXLSZVZRL-UHFFFAOYSA-N |
| TotalMolweight | 429.233 |
| Molweight | 429.233 |
| MonoisotopicMass | 428.02325 |
| CLogP | 3.3495 |
| CLogS | -5.334 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 284.88 |
| Relative PSA | 0.33625 |
| PolarSurfaceArea | 103.52 |
| Druglikeness | -0.92524 |
| Mutagenic | none |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
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