About CID 161214877
CID 161214877 (PubChem CID 161214877) has the molecular formula C41H197FS34
and a molecular weight of 1829.48 g/mol.
Molecular Properties
| Compound Name | CID 161214877 |
|---|
| PubChem CID | 161214877 |
|---|
| Molecular Formula | C41H197FS34 |
|---|
| Molecular Weight | 1829.48 g/mol |
|---|
| Exact Mass | 1825.77 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.F.S=S=S=S.S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H] |
|---|
| InChI | InChI=1S/41CH4.FH.S11.S10.S9.S4.16H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-4-2;;;;;;;;;;;;;;;;/h41*1H4;1H;;;;;16*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;13*1+1D;3*1+1 |
|---|
| InChIKey | UWSKHDIHTSPKOM-MHLBKWEDSA-N |
|---|
| XLogP | 30.09 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 76 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1829.48 |
| LogP ≤ 5 | 30.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of CID 161214877?
The IUPAC name of CID 161214877 (CID 161214877) is not available.
What is the SMILES notation for CID 161214877?
The canonical SMILES for CID 161214877 is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.F.S=S=S=S.S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S.S=S=S=S=S=S=S=S=S=S=S.[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of CID 161214877?
The InChIKey is UWSKHDIHTSPKOM-MHLBKWEDSA-N. The full InChI is InChI=1S/41CH4.FH.S11.S10.S9.S4.16H2/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-3-5-7-9-11-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-3-4-2;;;;;;;;;;;;;;;;/h41*1H4;1H;;;;;16*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;13*1+1D;3*1+1.
What are the key properties of CID 161214877?
CID 161214877 has a molecular weight of 1829.48 g/mol, XLogP of 30.09, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161214877 is sourced from PubChem (CID 161214877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).