N-[(Z)-pyridin-4-ylmethylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
Formula:C13H16N8O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-4-ylmethylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide |
| MolecularFormula | C13H16N8O |
| Smiles | O=C(Cn1nnc(N2CCCC2)n1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C13H16N8O/c22-12(16-15-9-11-3-5-14-6-4-11)10-21-18-13(17-19-21)20-7-1-2-8-20/h3-6,9H,1-2,7-8,10H2,(H,16,22) |
| InChIK | SQOLBARZKFVMNO-UHFFFAOYSA-N |
| TotalMolweight | 300.325 |
| Molweight | 300.325 |
| MonoisotopicMass | 300.144707 |
| CLogP | 0.7295 |
| CLogS | -1.842 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 236.83 |
| Relative PSA | 0.38133 |
| PolarSurfaceArea | 101.19 |
| Druglikeness | 2.5313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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