CID 173368262

C7H6O5Tl — CID 173368262

IUPAC—
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[Tl]
InChIInChI=1S/C7H6O5.Tl/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);
InChIKeyZNSLIILUXRVGFB-UHFFFAOYSA-N
MW374.50 g/mol
LogP0.12
Rot. Bonds1

About CID 173368262

CID 173368262 (PubChem CID 173368262) has the molecular formula C7H6O5Tl and a molecular weight of 374.50 g/mol.

Molecular Properties

Compound NameCID 173368262
PubChem CID173368262
Molecular FormulaC7H6O5Tl
Molecular Weight374.50 g/mol
Exact Mass375.00
IUPAC Name—
SMILESO=C(O)c1cc(O)c(O)c(O)c1.[Tl]
InChIInChI=1S/C7H6O5.Tl/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);
InChIKeyZNSLIILUXRVGFB-UHFFFAOYSA-N
XLogP0.12
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173368262?
The IUPAC name of CID 173368262 (CID 173368262) is not available.
What is the SMILES notation for CID 173368262?
The canonical SMILES for CID 173368262 is O=C(O)c1cc(O)c(O)c(O)c1.[Tl].
What is the InChIKey of CID 173368262?
The InChIKey is ZNSLIILUXRVGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5.Tl/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);.
What are the key properties of CID 173368262?
CID 173368262 has a molecular weight of 374.50 g/mol, XLogP of 0.12, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173368262 is sourced from PubChem (CID 173368262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).