(Z)-7-iodohept-4-en-1-ol
Formula:C7H13OI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-7-iodohept-4-en-1-ol is a drug-like molecule.
| MolName | (Z)-7-iodohept-4-en-1-ol |
| MolecularFormula | C7H13OI |
| Smiles | OCCC/C=C\CCI |
| InChI | InChI=1S/C7H13IO/c8-6-4-2-1-3-5-7-9/h1-2,9H,3-7H2 |
| InChIK | UICVZWISNDVZGE-UHFFFAOYSA-N |
| TotalMolweight | 240.079 |
| Molweight | 240.079 |
| MonoisotopicMass | 240.001113 |
| CLogP | 2.683 |
| CLogS | -1.723 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 141.43 |
| Relative PSA | 0.092625 |
| PolarSurfaceArea | 20.23 |
| Druglikeness | -14.403 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Sp3Atoms | 6 |
| StereoCon |
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