[(E)-[amino-(2,6-dichloropyridin-4-yl)methylidene]amino] cyclopropanecarboxylate
Formula:C10H9N3O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(2,6-dichloropyridin-4-yl)methylidene]amino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(2,6-dichloropyridin-4-yl)methylidene]amino] cyclopropanecarboxylate |
| MolecularFormula | C10H9N3O2Cl2 |
| Smiles | N/C(/c1cc(Cl)nc(Cl)c1)=N/OC(C1CC1)=O |
| InChI | InChI=1S/C10H9Cl2N3O2/c11-7-3-6(4-8(12)14-7)9(13)15-17-10(16)5-1-2-5/h3-5H,1-2H2,(H2,13,15) |
| InChIK | VBCPUXGFKJFNNT-UHFFFAOYSA-N |
| TotalMolweight | 274.106 |
| Molweight | 274.106 |
| MonoisotopicMass | 273.007181 |
| CLogP | 2.3523 |
| CLogS | -3.085 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 188.62 |
| Relative PSA | 0.32229 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -1.1719 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,6-dichloropyridin-4-yl)methylidene]amino] cyclopropanecarboxylate | 2 - [(E)-[amino-(2,6-dichloropyridin-4-yl)methylidene]amino] cyclopropanecarboxylate
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