(1S,2Z,8R,9S)-N-phenylbicyclo[6.1.0]non-2-ene-9-carboxamide
Formula:C16H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2Z,8R,9S)-N-phenylbicyclo[6.1.0]non-2-ene-9-carboxamide is a drug-like molecule.
| MolName | (1S,2Z,8R,9S)-N-phenylbicyclo[6.1.0]non-2-ene-9-carboxamide |
| MolecularFormula | C16H19NO |
| Smiles | O=C([C@@H]1[C@H]2/C=C\CCCC[C@@H]12)Nc1ccccc1 |
| InChI | InChI=1S/C16H19NO/c18-16(17-12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-14(13)15/h3-6,8-10,13-15H,1-2,7,11H2,(H,17,18)/t13-,14+,15-/m1/s1 |
| InChIK | QAUWUDWLPNVUBH-QLFBSQMISA-N |
| TotalMolweight | 241.333 |
| Molweight | 241.333 |
| MonoisotopicMass | 241.146664 |
| CLogP | 3.717 |
| CLogS | -3.732 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 194.51 |
| Relative PSA | 0.12596 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.7835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - (1S,2Z,8R,9S)-N-phenylbicyclo[6.1.0]non-2-ene-9-carboxamide | 2 - (1S,2Z,8R,9S)-N-phenylbicyclo[6.1.0]non-2-ene-9-carboxamide
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