About CID 10825816
CID 10825816 (PubChem CID 10825816) has the molecular formula C14H17ClTi+2
and a molecular weight of 268.61 g/mol.
Molecular Properties
| Compound Name | CID 10825816 |
|---|
| PubChem CID | 10825816 |
|---|
| Molecular Formula | C14H17ClTi+2 |
|---|
| Molecular Weight | 268.61 g/mol |
|---|
| Exact Mass | 268.05 |
|---|
| IUPAC Name | — |
|---|
| SMILES | Cl[Ti+3].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C |
|---|
| InChI | InChI=1S/2C5H5.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H;1H,2-3H3;1H;/q;;-1;;+4/p-1 |
|---|
| InChIKey | MWCRBKBMTWHZMF-UHFFFAOYSA-M |
|---|
| XLogP | 4.12 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 16 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 268.61 |
| LogP ≤ 5 | 4.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 10825816?
The IUPAC name of CID 10825816 (CID 10825816) is not available.
What is the SMILES notation for CID 10825816?
The canonical SMILES for CID 10825816 is Cl[Ti+3].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[H][C-]=C(C)C.
What is the InChIKey of CID 10825816?
The InChIKey is MWCRBKBMTWHZMF-UHFFFAOYSA-M. The full InChI is InChI=1S/2C5H5.C4H7.ClH.Ti/c2*1-2-4-5-3-1;1-4(2)3;;/h2*1-5H;1H,2-3H3;1H;/q;;-1;;+4/p-1.
What are the key properties of CID 10825816?
CID 10825816 has a molecular weight of 268.61 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10825816 is sourced from PubChem (CID 10825816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).