N-[(Z)-benzylideneamino]-2-[5-(2-cyanophenyl)tetrazol-1-yl]acetamide
Formula:C17H13N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[5-(2-cyanophenyl)tetrazol-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[5-(2-cyanophenyl)tetrazol-1-yl]acetamide |
| MolecularFormula | C17H13N7O |
| Smiles | N#Cc(cccc1)c1-c1nnnn1CC(N/N=C\c1ccccc1)=O |
| InChI | InChI=1S/C17H13N7O/c18-10-14-8-4-5-9-15(14)17-21-22-23-24(17)12-16(25)20-19-11-13-6-2-1-3-7-13/h1-9,11H,12H2,(H,20,25) |
| InChIK | MSYWPTQEAGOZCV-UHFFFAOYSA-N |
| TotalMolweight | 331.338 |
| Molweight | 331.338 |
| MonoisotopicMass | 331.118158 |
| CLogP | 1.9669 |
| CLogS | -5.437 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 267.7 |
| Relative PSA | 0.33377 |
| PolarSurfaceArea | 108.85 |
| Druglikeness | -0.18951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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