(4E,15E)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol
Formula:C30H42O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E,15E)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol is not a drug-like molecule.
| MolName | (4E,15E)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol |
| MolecularFormula | C30H42O2 |
| Smiles | C#CC(CCCCCCCCC#CC/C=C/CC#CCCCCCC/C=C/C(C#C)O)O |
| InChI | InChI=1S/C30H42O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25,27,29-32H,7-8,13-24,26,28H2 |
| InChIK | JXQKKFJMXWVGJQ-UHFFFAOYSA-N |
| TotalMolweight | 434.661 |
| Molweight | 434.661 |
| MonoisotopicMass | 434.31848 |
| CLogP | 8.7498 |
| CLogS | -10.69 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 431.58 |
| Relative PSA | 0.060707 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -13.277 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.9375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 2 |
| Rotatable Bond | 19 |
| Sp3Atoms | 20 |
| StereoCon | unknown chirality |
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