CID 70464298

C22H23ClNOSn — CID 70464298

IUPAC—
SMILESCl.O=C1CCCN1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C4H7NO.ClH.Sn/c3*1-2-4-6-5-3-1;6-4-2-1-3-5-4;;/h3*1-5H;1-3H2,(H,5,6);1H;
InChIKeyIXNUYSKPLPJDHL-UHFFFAOYSA-N
MW471.60 g/mol
LogP2.52
Rot. Bonds3

About CID 70464298

CID 70464298 (PubChem CID 70464298) has the molecular formula C22H23ClNOSn and a molecular weight of 471.60 g/mol.

Molecular Properties

Compound NameCID 70464298
PubChem CID70464298
Molecular FormulaC22H23ClNOSn
Molecular Weight471.60 g/mol
Exact Mass472.05
IUPAC Name—
SMILESCl.O=C1CCCN1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C6H5.C4H7NO.ClH.Sn/c3*1-2-4-6-5-3-1;6-4-2-1-3-5-4;;/h3*1-5H;1-3H2,(H,5,6);1H;
InChIKeyIXNUYSKPLPJDHL-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 70464298?
The IUPAC name of CID 70464298 (CID 70464298) is not available.
What is the SMILES notation for CID 70464298?
The canonical SMILES for CID 70464298 is Cl.O=C1CCCN1.c1ccc([Sn](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 70464298?
The InChIKey is IXNUYSKPLPJDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C4H7NO.ClH.Sn/c3*1-2-4-6-5-3-1;6-4-2-1-3-5-4;;/h3*1-5H;1-3H2,(H,5,6);1H;.
What are the key properties of CID 70464298?
CID 70464298 has a molecular weight of 471.60 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70464298 is sourced from PubChem (CID 70464298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).