4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]benzaldehyde
Formula:C9H8N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]benzaldehyde is a drug-like molecule.
| MolName | 4-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]benzaldehyde |
| MolecularFormula | C9H8N6O |
| Smiles | Nc1nnnn1/N=C\c1ccc(C=O)cc1 |
| InChI | InChI=1S/C9H8N6O/c10-9-12-13-14-15(9)11-5-7-1-3-8(6-16)4-2-7/h1-6H,(H2,10,12,14) |
| InChIK | DQVBEKNPFQRMAO-UHFFFAOYSA-N |
| TotalMolweight | 216.204 |
| Molweight | 216.204 |
| MonoisotopicMass | 216.075959 |
| CLogP | 1.1598 |
| CLogS | -4.111 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 171.32 |
| Relative PSA | 0.46463 |
| PolarSurfaceArea | 99.05 |
| Druglikeness | -0.89917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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