(E)-hept-3-ene-1,7-diol
Formula:C7H14O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-hept-3-ene-1,7-diol is a drug-like molecule.
| MolName | (E)-hept-3-ene-1,7-diol |
| MolecularFormula | C7H14O2 |
| Smiles | OCCC/C=C/CCO |
| InChI | InChI=1S/C7H14O2/c8-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2 |
| InChIK | DOOJAFNLRWSMQE-UHFFFAOYSA-N |
| TotalMolweight | 130.186 |
| Molweight | 130.186 |
| MonoisotopicMass | 130.09938 |
| CLogP | 1.1436 |
| CLogS | -1.092 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 121.5 |
| Relative PSA | 0.21564 |
| PolarSurfaceArea | 40.46 |
| Druglikeness | -11.603 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Sp3Atoms | 7 |
| StereoCon |
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