N-[(Z)-(3-bromophenyl)methylideneamino]-1-phenyltetrazol-5-amine
Formula:C14H11N6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(3-bromophenyl)methylideneamino]-1-phenyltetrazol-5-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-1-phenyltetrazol-5-amine |
| MolecularFormula | C14H11N6Br |
| Smiles | Brc1cc(/C=N\Nc2nnnn2-c2ccccc2)ccc1 |
| InChI | InChI=1S/C14H11BrN6/c15-12-6-4-5-11(9-12)10-16-17-14-18-19-20-21(14)13-7-2-1-3-8-13/h1-10H,(H,17,18,20) |
| InChIK | INIHVVCPLOEQPL-UHFFFAOYSA-N |
| TotalMolweight | 343.187 |
| Molweight | 343.187 |
| MonoisotopicMass | 342.022855 |
| CLogP | 4.8342 |
| CLogS | -4.553 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 233.11 |
| Relative PSA | 0.26919 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 0.48 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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