CID 175981713

C14H8MgO6 — CID 175981713

IUPAC—
SMILESO=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21.[Mg]
InChIInChI=1S/C14H8O6.Mg/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20;/h1-4,15-18H;
InChIKeyLQZFBUCERMXXFK-UHFFFAOYSA-N
MW296.52 g/mol
LogP0.90
Rot. Bonds

About CID 175981713

CID 175981713 (PubChem CID 175981713) has the molecular formula C14H8MgO6 and a molecular weight of 296.52 g/mol.

Molecular Properties

Compound NameCID 175981713
PubChem CID175981713
Molecular FormulaC14H8MgO6
Molecular Weight296.52 g/mol
Exact Mass296.02
IUPAC Name—
SMILESO=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21.[Mg]
InChIInChI=1S/C14H8O6.Mg/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20;/h1-4,15-18H;
InChIKeyLQZFBUCERMXXFK-UHFFFAOYSA-N
XLogP0.90
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze CID 175981713 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 175981713?
The IUPAC name of CID 175981713 (CID 175981713) is not available.
What is the SMILES notation for CID 175981713?
The canonical SMILES for CID 175981713 is O=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21.[Mg].
What is the InChIKey of CID 175981713?
The InChIKey is LQZFBUCERMXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O6.Mg/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20;/h1-4,15-18H;.
What are the key properties of CID 175981713?
CID 175981713 has a molecular weight of 296.52 g/mol, XLogP of 0.90, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175981713 is sourced from PubChem (CID 175981713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).