(7E)-1-oxacycloheptadec-7-en-2-one
Formula:C16H28O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-1-oxacycloheptadec-7-en-2-one is not a drug-like molecule.
| MolName | (7E)-1-oxacycloheptadec-7-en-2-one |
| MolecularFormula | C16H28O2 |
| Smiles | O=C1OCCCCCCCCC/C=C/CCCC1 |
| InChI | InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2 |
| InChIK | HMWPDRYGIBLSHB-UHFFFAOYSA-N |
| TotalMolweight | 252.396 |
| Molweight | 252.396 |
| MonoisotopicMass | 252.20893 |
| CLogP | 5.6673 |
| CLogS | -3.985 |
| H Acceptors | 2 |
| TotalSurfaceArea | 233.13 |
| Relative PSA | 0.098829 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -21.51 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Sp3Atoms | 14 |
| StereoCon |
Click to Load Molecule:
1 - (7E)-1-oxacycloheptadec-7-en-2-one | 2 - (7E)-1-oxacycloheptadec-7-en-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off