[(E)-[amino(pyridin-3-yl)methylidene]amino] cyclohexanecarboxylate
Formula:C13H17N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino(pyridin-3-yl)methylidene]amino] cyclohexanecarboxylate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] cyclohexanecarboxylate |
| MolecularFormula | C13H17N3O2 |
| Smiles | N/C(/c1cnccc1)=N/OC(C1CCCCC1)=O |
| InChI | InChI=1S/C13H17N3O2/c14-12(11-7-4-8-15-9-11)16-18-13(17)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,14,16) |
| InChIK | BVMXMKCLGHLSBJ-UHFFFAOYSA-N |
| TotalMolweight | 247.297 |
| Molweight | 247.297 |
| MonoisotopicMass | 247.132077 |
| CLogP | 1.9715 |
| CLogS | -2.897 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 199.06 |
| Relative PSA | 0.30539 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -6.5099 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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