2-(5-aminotetrazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Formula:C12H13N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(5-aminotetrazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-(5-aminotetrazol-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide |
| MolecularFormula | C12H13N7O |
| Smiles | Nc1nnnn1CC(N/N=C\C=C\c1ccccc1)=O |
| InChI | InChI=1S/C12H13N7O/c13-12-16-17-18-19(12)9-11(20)15-14-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,20)(H2,13,16,18) |
| InChIK | BIKOTJXHBOGACJ-UHFFFAOYSA-N |
| TotalMolweight | 271.283 |
| Molweight | 271.283 |
| MonoisotopicMass | 271.118158 |
| CLogP | 0.1988 |
| CLogS | -3.158 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 221.25 |
| Relative PSA | 0.41157 |
| PolarSurfaceArea | 111.08 |
| Druglikeness | 4.1696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| 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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