CID 11330760

C23H16CoMoNO8 — CID 11330760

IUPAC—
SMILESCC#CC(=O)N1C(=O)OC[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Co].[Mo]
InChIInChI=1S/C13H11NO3.C5H5.5CO.Co.Mo/c1-2-6-12(15)14-11(9-17-13(14)16)10-7-4-3-5-8-10;1-2-4-5-3-1;5*1-2;;/h3-5,7-8,11H,9H2,1H3;1-5H;;;;;;;/t11-;;;;;;;;/m0......../s1
InChIKeyIYCHTMSGRLJEOM-FZHAEXBCSA-N
MW589.25 g/mol
LogP2.56
Rot. Bonds1

About CID 11330760

CID 11330760 (PubChem CID 11330760) has the molecular formula C23H16CoMoNO8 and a molecular weight of 589.25 g/mol.

Molecular Properties

Compound NameCID 11330760
PubChem CID11330760
Molecular FormulaC23H16CoMoNO8
Molecular Weight589.25 g/mol
Exact Mass590.93
IUPAC Name—
SMILESCC#CC(=O)N1C(=O)OC[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Co].[Mo]
InChIInChI=1S/C13H11NO3.C5H5.5CO.Co.Mo/c1-2-6-12(15)14-11(9-17-13(14)16)10-7-4-3-5-8-10;1-2-4-5-3-1;5*1-2;;/h3-5,7-8,11H,9H2,1H3;1-5H;;;;;;;/t11-;;;;;;;;/m0......../s1
InChIKeyIYCHTMSGRLJEOM-FZHAEXBCSA-N
XLogP2.56
TPSA146.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11330760?
The IUPAC name of CID 11330760 (CID 11330760) is not available.
What is the SMILES notation for CID 11330760?
The canonical SMILES for CID 11330760 is CC#CC(=O)N1C(=O)OC[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Co].[Mo].
What is the InChIKey of CID 11330760?
The InChIKey is IYCHTMSGRLJEOM-FZHAEXBCSA-N. The full InChI is InChI=1S/C13H11NO3.C5H5.5CO.Co.Mo/c1-2-6-12(15)14-11(9-17-13(14)16)10-7-4-3-5-8-10;1-2-4-5-3-1;5*1-2;;/h3-5,7-8,11H,9H2,1H3;1-5H;;;;;;;/t11-;;;;;;;;/m0......../s1.
What are the key properties of CID 11330760?
CID 11330760 has a molecular weight of 589.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11330760 is sourced from PubChem (CID 11330760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).