N-[(Z)-anthracen-9-ylmethylideneamino]-2H-tetrazol-5-amine
Formula:C16H12N6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2H-tetrazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C16H12N6 |
| Smiles | C(c1c(cccc2)c2cc2ccccc12)=N\Nc1n[nH]nn1 |
| InChI | InChI=1S/C16H12N6/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)15(13)10-17-18-16-19-21-22-20-16/h1-10H,(H2,18,19,20,21,22) |
| InChIK | FVBJYULTVHHCDR-UHFFFAOYSA-N |
| TotalMolweight | 288.313 |
| Molweight | 288.313 |
| MonoisotopicMass | 288.112344 |
| CLogP | 5.2226 |
| CLogS | -5.769 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.29 |
| Relative PSA | 0.31152 |
| PolarSurfaceArea | 78.85 |
| Druglikeness | -1.4144 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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