N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclohexanecarboxamide
Formula:C15H17N2OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclohexanecarboxamide |
| MolecularFormula | C15H17N2OF3 |
| Smiles | O=C(C1CCCCC1)N/N=C\c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C15H17F3N2O/c16-15(17,18)13-9-5-4-8-12(13)10-19-20-14(21)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,20,21) |
| InChIK | WHEDYBJEZLLYMZ-UHFFFAOYSA-N |
| TotalMolweight | 298.307 |
| Molweight | 298.307 |
| MonoisotopicMass | 298.129297 |
| CLogP | 3.9502 |
| CLogS | -4.655 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 224.49 |
| Relative PSA | 0.16041 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -7.0207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclohexanecarboxamide | 2 - N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]cyclohexanecarboxamide
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