N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-fluorobenzamide
Formula:C14H15N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-fluorobenzamide |
| MolecularFormula | C14H15N2OF |
| Smiles | O=C(c(cccc1)c1F)N/N=C\C1CC=CCC1 |
| InChI | InChI=1S/C14H15FN2O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-2,4-5,8-11H,3,6-7H2,(H,17,18)/t11-/m1/s1 |
| InChIK | YDUUWWUVHSZVIL-LLVKDONJSA-N |
| TotalMolweight | 246.284 |
| Molweight | 246.284 |
| MonoisotopicMass | 246.116841 |
| CLogP | 2.6164 |
| CLogS | -3.885 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 200.36 |
| Relative PSA | 0.17973 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -1.9661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-fluorobenzamide | 2 - N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-fluorobenzamide
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