N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C17H14N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C17H14N6O3 |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H14N6O3/c24-16(10-23-21-17(20-22-23)13-4-2-1-3-5-13)19-18-9-12-6-7-14-15(8-12)26-11-25-14/h1-9H,10-11H2,(H,19,24) |
| InChIK | OFOBPXLKCDCLEB-UHFFFAOYSA-N |
| TotalMolweight | 350.337 |
| Molweight | 350.337 |
| MonoisotopicMass | 350.112739 |
| CLogP | 2.6243 |
| CLogS | -4.5 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 266.25 |
| Relative PSA | 0.35977 |
| PolarSurfaceArea | 103.52 |
| Druglikeness | 0.86476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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