N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-iodobenzamide
Formula:C14H15N2OI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-iodobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-iodobenzamide |
| MolecularFormula | C14H15N2OI |
| Smiles | O=C(c1cccc(I)c1)N/N=C\[C@@H]1CC=CCC1 |
| InChI | InChI=1S/C14H15IN2O/c15-13-8-4-7-12(9-13)14(18)17-16-10-11-5-2-1-3-6-11/h1-2,4,7-11H,3,5-6H2,(H,17,18)/t11-/m1/s1 |
| InChIK | SCWLJXOBDODMMN-LLVKDONJSA-N |
| TotalMolweight | 354.186 |
| Molweight | 354.186 |
| MonoisotopicMass | 354.022911 |
| CLogP | 2.9527 |
| CLogS | -4.587 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 220.29 |
| Relative PSA | 0.16347 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | -0.1891 |
| 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 | this enantiomer |
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