CID 66807709

C14H8NaO2 — CID 66807709

IUPAC—
SMILESO=C1c2ccccc2C(=O)c2ccccc21.[Na]
InChIInChI=1S/C14H8O2.Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h1-8H;
InChIKeyAFVAAKZXFPQYEJ-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.08
Rot. Bonds

About CID 66807709

CID 66807709 (PubChem CID 66807709) has the molecular formula C14H8NaO2 and a molecular weight of 231.21 g/mol.

Molecular Properties

Compound NameCID 66807709
PubChem CID66807709
Molecular FormulaC14H8NaO2
Molecular Weight231.21 g/mol
Exact Mass231.04
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)c2ccccc21.[Na]
InChIInChI=1S/C14H8O2.Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h1-8H;
InChIKeyAFVAAKZXFPQYEJ-UHFFFAOYSA-N
XLogP2.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 66807709?
The IUPAC name of CID 66807709 (CID 66807709) is not available.
What is the SMILES notation for CID 66807709?
The canonical SMILES for CID 66807709 is O=C1c2ccccc2C(=O)c2ccccc21.[Na].
What is the InChIKey of CID 66807709?
The InChIKey is AFVAAKZXFPQYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;/h1-8H;.
What are the key properties of CID 66807709?
CID 66807709 has a molecular weight of 231.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66807709 is sourced from PubChem (CID 66807709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).