CID 70473607

C21H21O2Sn — CID 70473607

IUPAC—
SMILESCCC(=O)O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C3H6O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;2H2,1H3,(H,4,5);
InChIKeyUJDVMSDDCGLVNR-UHFFFAOYSA-N
MW424.11 g/mol
LogP2.68
Rot. Bonds4

About CID 70473607

CID 70473607 (PubChem CID 70473607) has the molecular formula C21H21O2Sn and a molecular weight of 424.11 g/mol.

Molecular Properties

Compound NameCID 70473607
PubChem CID70473607
Molecular FormulaC21H21O2Sn
Molecular Weight424.11 g/mol
Exact Mass425.06
IUPAC Name—
SMILESCCC(=O)O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C3H6O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;2H2,1H3,(H,4,5);
InChIKeyUJDVMSDDCGLVNR-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70473607?
The IUPAC name of CID 70473607 (CID 70473607) is not available.
What is the SMILES notation for CID 70473607?
The canonical SMILES for CID 70473607 is CCC(=O)O.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 70473607?
The InChIKey is UJDVMSDDCGLVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C3H6O2.Sn/c3*1-2-4-6-5-3-1;1-2-3(4)5;/h3*1-5H;2H2,1H3,(H,4,5);.
What are the key properties of CID 70473607?
CID 70473607 has a molecular weight of 424.11 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70473607 is sourced from PubChem (CID 70473607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).