CID 70421387

C20H18ClO2Sn — CID 70421387

IUPAC—
SMILESCC(=O)OCl.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;1-2(4)5-3;/h3*1-5H;1H3;
InChIKeyGQHVIFGXRCHOGK-UHFFFAOYSA-N
MW444.53 g/mol
LogP2.91
Rot. Bonds3

About CID 70421387

CID 70421387 (PubChem CID 70421387) has the molecular formula C20H18ClO2Sn and a molecular weight of 444.53 g/mol.

Molecular Properties

Compound NameCID 70421387
PubChem CID70421387
Molecular FormulaC20H18ClO2Sn
Molecular Weight444.53 g/mol
Exact Mass445.00
IUPAC Name—
SMILESCC(=O)OCl.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;1-2(4)5-3;/h3*1-5H;1H3;
InChIKeyGQHVIFGXRCHOGK-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 70421387?
The IUPAC name of CID 70421387 (CID 70421387) is not available.
What is the SMILES notation for CID 70421387?
The canonical SMILES for CID 70421387 is CC(=O)OCl.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 70421387?
The InChIKey is GQHVIFGXRCHOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;1-2(4)5-3;/h3*1-5H;1H3;.
What are the key properties of CID 70421387?
CID 70421387 has a molecular weight of 444.53 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70421387 is sourced from PubChem (CID 70421387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).