CID 173282826

C12H30Cl3Sn — CID 173282826

IUPAC
SMILESCCCC[Sn](CCCC)CCCC.Cl.Cl.Cl
InChIInChI=1S/3C4H9.3ClH.Sn/c3*1-3-4-2;;;;/h3*1,3-4H2,2H3;3*1H;
InChIKeyTZCIOASDOBPVFA-UHFFFAOYSA-N
MW399.44 g/mol
LogP6.15
Rot. Bonds9

About CID 173282826

CID 173282826 (PubChem CID 173282826) has the molecular formula C12H30Cl3Sn and a molecular weight of 399.44 g/mol.

Molecular Properties

Compound NameCID 173282826
PubChem CID173282826
Molecular FormulaC12H30Cl3Sn
Molecular Weight399.44 g/mol
Exact Mass399.04
IUPAC Name
SMILESCCCC[Sn](CCCC)CCCC.Cl.Cl.Cl
InChIInChI=1S/3C4H9.3ClH.Sn/c3*1-3-4-2;;;;/h3*1,3-4H2,2H3;3*1H;
InChIKeyTZCIOASDOBPVFA-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.44
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 173282826 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173282826?
The IUPAC name of CID 173282826 (CID 173282826) is not available.
What is the SMILES notation for CID 173282826?
The canonical SMILES for CID 173282826 is CCCC[Sn](CCCC)CCCC.Cl.Cl.Cl.
What is the InChIKey of CID 173282826?
The InChIKey is TZCIOASDOBPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.3ClH.Sn/c3*1-3-4-2;;;;/h3*1,3-4H2,2H3;3*1H;.
What are the key properties of CID 173282826?
CID 173282826 has a molecular weight of 399.44 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173282826 is sourced from PubChem (CID 173282826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).