N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
Formula:C15H14N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine |
| MolecularFormula | C15H14N6O |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\Nc2n[nH]nn2)cc1 |
| InChI | InChI=1S/C15H14N6O/c1-2-4-13(5-3-1)11-22-14-8-6-12(7-9-14)10-16-17-15-18-20-21-19-15/h1-10H,11H2,(H2,17,18,19,20,21) |
| InChIK | PQFWHHVAMFKUNZ-UHFFFAOYSA-N |
| TotalMolweight | 294.317 |
| Molweight | 294.317 |
| MonoisotopicMass | 294.122909 |
| CLogP | 4.1819 |
| CLogS | -3.898 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 238.61 |
| Relative PSA | 0.33473 |
| PolarSurfaceArea | 88.08 |
| Druglikeness | -2.1161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine | 2 - N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
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