[(E)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate
Formula:C10H11N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C10H11N3O2 |
| Smiles | N/C(/c1ncccc1)=N/OC(C1CC1)=O |
| InChI | InChI=1S/C10H11N3O2/c11-9(8-3-1-2-6-12-8)13-15-10(14)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13) |
| InChIK | GWGHHXDHBQCSTK-UHFFFAOYSA-N |
| TotalMolweight | 205.216 |
| Molweight | 205.216 |
| MonoisotopicMass | 205.085127 |
| CLogP | 0.9995 |
| CLogS | -2.111 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 157.78 |
| Relative PSA | 0.38528 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -1.2489 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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