N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
Formula:C17H13N7O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide |
| MolecularFormula | C17H13N7O |
| Smiles | N#Cc1ccc(/C=N\NC(Cn2nnc(-c3ccccc3)n2)=O)cc1 |
| InChI | InChI=1S/C17H13N7O/c18-10-13-6-8-14(9-7-13)11-19-20-16(25)12-24-22-17(21-23-24)15-4-2-1-3-5-15/h1-9,11H,12H2,(H,20,25) |
| InChIK | HONTWEYUXJBJFQ-UHFFFAOYSA-N |
| TotalMolweight | 331.338 |
| Molweight | 331.338 |
| MonoisotopicMass | 331.118158 |
| CLogP | 2.3485 |
| CLogS | -4.562 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 267.7 |
| Relative PSA | 0.33377 |
| PolarSurfaceArea | 108.85 |
| Druglikeness | -3.2415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| 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 | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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