N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenyltetrazol-5-amine
Formula:C15H12N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenyltetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenyltetrazol-5-amine |
| MolecularFormula | C15H12N6O2 |
| Smiles | C1Oc(cc(/C=N\Nc2nnnn2-c2ccccc2)cc2)c2O1 |
| InChI | InChI=1S/C15H12N6O2/c1-2-4-12(5-3-1)21-15(18-19-20-21)17-16-9-11-6-7-13-14(8-11)23-10-22-13/h1-9H,10H2,(H,17,18,20) |
| InChIK | YBHODPVJVAHUSG-UHFFFAOYSA-N |
| TotalMolweight | 308.3 |
| Molweight | 308.3 |
| MonoisotopicMass | 308.102174 |
| CLogP | 4.2204 |
| CLogS | -4.43 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 234.74 |
| Relative PSA | 0.35252 |
| PolarSurfaceArea | 86.45 |
| Druglikeness | 1.8198 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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