2-(5-aminotetrazol-2-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C12H13N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-2-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-2-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C12H13N7O |
| Smiles | Nc1nn(CC(N/N=C\C=C\c2ccccc2)=O)nn1 |
| InChI | InChI=1S/C12H13N7O/c13-12-16-18-19(17-12)9-11(20)15-14-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,17)(H,15,20) |
| InChIK | LQTKHJUBFUBIRF-UHFFFAOYSA-N |
| TotalMolweight | 271.283 |
| Molweight | 271.283 |
| MonoisotopicMass | 271.118158 |
| CLogP | 0.5804 |
| CLogS | -2.283 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 221.25 |
| Relative PSA | 0.41157 |
| PolarSurfaceArea | 111.08 |
| Druglikeness | 1.1313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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