(1S,4Z,8Z,12S)-N-(2,6-dichlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
Formula:C20H23NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,4Z,8Z,12S)-N-(2,6-dichlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is not a drug-like molecule.
| MolName | (1S,4Z,8Z,12S)-N-(2,6-dichlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide |
| MolecularFormula | C20H23NOCl2 |
| Smiles | O=C(C1[C@@H]2[C@@H]1CC/C=C\CC/C=C\CC2)Nc(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C20H23Cl2NO/c21-16-12-9-13-17(22)19(16)23-20(24)18-14-10-7-5-3-1-2-4-6-8-11-15(14)18/h3-6,9,12-15,18H,1-2,7-8,10-11H2,(H,23,24)/t14-,15-,18?/m1/s1 |
| InChIK | IBBHEQXRACLNGJ-QOYAAKSSSA-N |
| TotalMolweight | 364.315 |
| Molweight | 364.315 |
| MonoisotopicMass | 363.115668 |
| CLogP | 6.4944 |
| CLogS | -6.056 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 279.37 |
| Relative PSA | 0.087697 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.5175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (1S,4Z,8Z,12S)-N-(2,6-dichlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide | 2 - (1S,4Z,8Z,12S)-N-(2,6-dichlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
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