N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine
Formula:C18H12N6Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-naphthalen-1-yltetrazol-5-amine |
| MolecularFormula | C18H12N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nnnn2-c2cccc3ccccc23)cc1 |
| InChI | InChI=1S/C18H12Cl2N6/c19-14-9-8-13(16(20)10-14)11-21-22-18-23-24-25-26(18)17-7-3-5-12-4-1-2-6-15(12)17/h1-11H,(H,22,23,25) |
| InChIK | QFHANLRKQZADTD-UHFFFAOYSA-N |
| TotalMolweight | 383.241 |
| Molweight | 383.241 |
| MonoisotopicMass | 382.050048 |
| CLogP | 6.5154 |
| CLogS | -6.797 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.92 |
| Relative PSA | 0.22417 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 2.2373 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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