(2Z)-N-(1,3-thiazol-2-yl)bicyclo[6.1.0]non-2-ene-9-carboxamide
Formula:C13H16N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-N-(1,3-thiazol-2-yl)bicyclo[6.1.0]non-2-ene-9-carboxamide is a drug-like molecule.
| MolName | (2Z)-N-(1,3-thiazol-2-yl)bicyclo[6.1.0]non-2-ene-9-carboxamide |
| MolecularFormula | C13H16N2OS |
| Smiles | O=C(C1C2/C=C\CCCCC12)Nc1nccs1 |
| InChI | InChI=1S/C13H16N2OS/c16-12(15-13-14-7-8-17-13)11-9-5-3-1-2-4-6-10(9)11/h3,5,7-11H,1-2,4,6H2,(H,14,15,16) |
| InChIK | QVRUJMJSJXRQQT-UHFFFAOYSA-N |
| TotalMolweight | 248.349 |
| Molweight | 248.349 |
| MonoisotopicMass | 248.098333 |
| CLogP | 3.3423 |
| CLogS | -3.465 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 189.21 |
| Relative PSA | 0.29507 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -5.9309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (2Z)-N-(1,3-thiazol-2-yl)bicyclo[6.1.0]non-2-ene-9-carboxamide | 2 - (2Z)-N-(1,3-thiazol-2-yl)bicyclo[6.1.0]non-2-ene-9-carboxamide
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