(5E)-5-(hydroxymethylidene)tetracyclo[5.4.1.04,12.09,12]dodecan-6-one
Formula:C13H16O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-(hydroxymethylidene)tetracyclo[5.4.1.04,12.09,12]dodecan-6-one is a drug-like molecule.
| MolName | (5E)-5-(hydroxymethylidene)tetracyclo[5.4.1.04,12.09,12]dodecan-6-one |
| MolecularFormula | C13H16O2 |
| Smiles | O/C=C(\C1C2(C3CC2CC2)C2CC1)/C3=O |
| InChI | InChI=1S/C13H16O2/c14-6-9-10-4-3-7-1-2-8-5-11(12(9)15)13(7,8)10/h6-8,10-11,14H,1-5H2 |
| InChIK | CGVJOGSNPWKNTI-UHFFFAOYSA-N |
| TotalMolweight | 204.268 |
| Molweight | 204.268 |
| MonoisotopicMass | 204.11503 |
| CLogP | 1.3975 |
| CLogS | -2.878 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 137.52 |
| Relative PSA | 0.19008 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.5 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 5 |
| Rings Closures | 4 |
| Small Rings | 6 |
| Sp3Atoms | 11 |
| StereoCon | unknown chirality |
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1 - (5E)-5-(hydroxymethylidene)tetracyclo[5.4.1.04,12.09,12]dodecan-6-one | 2 - (5E)-5-(hydroxymethylidene)tetracyclo[5.4.1.04,12.09,12]dodecan-6-one
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