CID 70477304

C26H21O4Sn — CID 70477304

IUPAC—
SMILESO=C(O)c1ccc(C(=O)O)cc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C8H6O4.3C6H5.Sn/c9-7(10)5-1-2-6(4-3-5)8(11)12;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10)(H,11,12);3*1-5H;
InChIKeyFMZQXWOJVWZXRG-UHFFFAOYSA-N
MW516.16 g/mol
LogP3.29
Rot. Bonds5

About CID 70477304

CID 70477304 (PubChem CID 70477304) has the molecular formula C26H21O4Sn and a molecular weight of 516.16 g/mol.

Molecular Properties

Compound NameCID 70477304
PubChem CID70477304
Molecular FormulaC26H21O4Sn
Molecular Weight516.16 g/mol
Exact Mass517.05
IUPAC Name—
SMILESO=C(O)c1ccc(C(=O)O)cc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C8H6O4.3C6H5.Sn/c9-7(10)5-1-2-6(4-3-5)8(11)12;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10)(H,11,12);3*1-5H;
InChIKeyFMZQXWOJVWZXRG-UHFFFAOYSA-N
XLogP3.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.16
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 70477304?
The IUPAC name of CID 70477304 (CID 70477304) is not available.
What is the SMILES notation for CID 70477304?
The canonical SMILES for CID 70477304 is O=C(O)c1ccc(C(=O)O)cc1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 70477304?
The InChIKey is FMZQXWOJVWZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.3C6H5.Sn/c9-7(10)5-1-2-6(4-3-5)8(11)12;3*1-2-4-6-5-3-1;/h1-4H,(H,9,10)(H,11,12);3*1-5H;.
What are the key properties of CID 70477304?
CID 70477304 has a molecular weight of 516.16 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70477304 is sourced from PubChem (CID 70477304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).