(4Z,8Z)-N-(4-fluorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
Formula:C20H24NOF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z,8Z)-N-(4-fluorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide is not a drug-like molecule.
| MolName | (4Z,8Z)-N-(4-fluorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide |
| MolecularFormula | C20H24NOF |
| Smiles | O=C(C1C2C1CC/C=C\CC/C=C\CC2)Nc(cc1)ccc1F |
| InChI | InChI=1S/C20H24FNO/c21-15-11-13-16(14-12-15)22-20(23)19-17-9-7-5-3-1-2-4-6-8-10-18(17)19/h3-6,11-14,17-19H,1-2,7-10H2,(H,22,23) |
| InChIK | CBULCJKHVYVFRM-UHFFFAOYSA-N |
| TotalMolweight | 313.415 |
| Molweight | 313.415 |
| MonoisotopicMass | 313.184192 |
| CLogP | 5.3832 |
| CLogS | -4.898 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 254.88 |
| Relative PSA | 0.096124 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -3.9135 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| 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 | 8 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - (4Z,8Z)-N-(4-fluorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide | 2 - (4Z,8Z)-N-(4-fluorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
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