(1Z,4Z)-cyclododeca-1,4-diene-1,4-diol
Formula:C12H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z,4Z)-cyclododeca-1,4-diene-1,4-diol is a drug-like molecule.
| MolName | (1Z,4Z)-cyclododeca-1,4-diene-1,4-diol |
| MolecularFormula | C12H20O2 |
| Smiles | O/C1=C\C/C(/O)=C/CCCCCCC1 |
| InChI | InChI=1S/C12H20O2/c13-11-7-5-3-1-2-4-6-8-12(14)10-9-11/h7,10,13-14H,1-6,8-9H2 |
| InChIK | UKAYQTCBKYYMFN-UHFFFAOYSA-N |
| TotalMolweight | 196.289 |
| Molweight | 196.289 |
| MonoisotopicMass | 196.14633 |
| CLogP | 4.615 |
| CLogS | -3.176 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 172.2 |
| Relative PSA | 0.15215 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -7.0831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Sp3Atoms | 10 |
| StereoCon |
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