dodecanedial
Formula:C12H22O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
dodecanedial is a drug-like molecule.
| MolName | dodecanedial |
| MolecularFormula | C12H22O2 |
| Smiles | O=CCCCCCCCCCCC=O |
| InChI | InChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h11-12H,1-10H2 |
| InChIK | SZCGBFUWBCDIEA-UHFFFAOYSA-N |
| TotalMolweight | 198.305 |
| Molweight | 198.305 |
| MonoisotopicMass | 198.16198 |
| CLogP | 3.2432 |
| CLogS | -3.1 |
| H Acceptors | 2 |
| TotalSurfaceArea | 190.18 |
| Relative PSA | 0.13713 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -9.6064 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| StereoCon |
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