N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C20H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C20H16N6O |
| Smiles | O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H16N6O/c27-19(14-26-24-20(23-25-26)17-7-2-1-3-8-17)22-21-13-15-10-11-16-6-4-5-9-18(16)12-15/h1-13H,14H2,(H,22,27) |
| InChIK | YRBQRWGRBPNNPR-UHFFFAOYSA-N |
| TotalMolweight | 356.388 |
| Molweight | 356.388 |
| MonoisotopicMass | 356.138559 |
| CLogP | 3.7073 |
| CLogS | -5.395 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 280.59 |
| Relative PSA | 0.27011 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.0385 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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