(4Z,8Z)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
Formula:C20H24NOCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z,8Z)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is not a drug-like molecule.
| MolName | (4Z,8Z)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide |
| MolecularFormula | C20H24NOCl |
| Smiles | O=C(C1C2C1CC/C=C\CC/C=C\CC2)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C20H24ClNO/c21-15-10-9-11-16(14-15)22-20(23)19-17-12-7-5-3-1-2-4-6-8-13-18(17)19/h3-6,9-11,14,17-19H,1-2,7-8,12-13H2,(H,22,23) |
| InChIK | YQNTWNOXMQOVET-UHFFFAOYSA-N |
| TotalMolweight | 329.87 |
| Molweight | 329.87 |
| MonoisotopicMass | 329.154641 |
| CLogP | 5.8884 |
| CLogS | -5.32 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.95 |
| Relative PSA | 0.092821 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -2.5175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - (4Z,8Z)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide | 2 - (4Z,8Z)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
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