CID 164679845

C16H13CoNaO3P — CID 164679845

IUPAC—
SMILESCP(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Na]
InChIInChI=1S/C13H13P.3CO.Co.Na/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;3*1-2;;/h2-11H,1H3;;;;;
InChIKeyQEJWAANZTRQFTM-UHFFFAOYSA-N
MW366.17 g/mol
LogP2.25
Rot. Bonds2

About CID 164679845

CID 164679845 (PubChem CID 164679845) has the molecular formula C16H13CoNaO3P and a molecular weight of 366.17 g/mol.

Molecular Properties

Compound NameCID 164679845
PubChem CID164679845
Molecular FormulaC16H13CoNaO3P
Molecular Weight366.17 g/mol
Exact Mass365.98
IUPAC Name—
SMILESCP(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Na]
InChIInChI=1S/C13H13P.3CO.Co.Na/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;3*1-2;;/h2-11H,1H3;;;;;
InChIKeyQEJWAANZTRQFTM-UHFFFAOYSA-N
XLogP2.25
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 164679845?
The IUPAC name of CID 164679845 (CID 164679845) is not available.
What is the SMILES notation for CID 164679845?
The canonical SMILES for CID 164679845 is CP(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Na].
What is the InChIKey of CID 164679845?
The InChIKey is QEJWAANZTRQFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13P.3CO.Co.Na/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;3*1-2;;/h2-11H,1H3;;;;;.
What are the key properties of CID 164679845?
CID 164679845 has a molecular weight of 366.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164679845 is sourced from PubChem (CID 164679845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).