N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]cyclohexanecarboxamide
Formula:C19H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]cyclohexanecarboxamide |
| MolecularFormula | C19H21N3O |
| Smiles | O=C(C1CCCCC1)N/N=C(\c1ccccc1)/c1cnccc1 |
| InChI | InChI=1S/C19H21N3O/c23-19(16-10-5-2-6-11-16)22-21-18(15-8-3-1-4-9-15)17-12-7-13-20-14-17/h1,3-4,7-9,12-14,16H,2,5-6,10-11H2,(H,22,23) |
| InChIK | UKTCOQGVNKMFJM-UHFFFAOYSA-N |
| TotalMolweight | 307.396 |
| Molweight | 307.396 |
| MonoisotopicMass | 307.168462 |
| CLogP | 3.2977 |
| CLogS | -4.858 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 251.76 |
| Relative PSA | 0.18661 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -0.97257 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]cyclohexanecarboxamide | 2 - N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]cyclohexanecarboxamide
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