CID 160967655

C10H24N2Na2O8Zn — CID 160967655

IUPAC—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[Na].[Na].[Zn]
InChIInChI=1S/C2H8N2.4C2H4O2.2Na.Zn/c3-1-2-4;4*1-2(3)4;;;/h1-4H2;4*1H3,(H,3,4);;;
InChIKeySXVLBGRKUHHWMT-UHFFFAOYSA-N
MW411.68 g/mol
LogP-1.50
Rot. Bonds1

About CID 160967655

CID 160967655 (PubChem CID 160967655) has the molecular formula C10H24N2Na2O8Zn and a molecular weight of 411.68 g/mol.

Molecular Properties

Compound NameCID 160967655
PubChem CID160967655
Molecular FormulaC10H24N2Na2O8Zn
Molecular Weight411.68 g/mol
Exact Mass410.06
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[Na].[Na].[Zn]
InChIInChI=1S/C2H8N2.4C2H4O2.2Na.Zn/c3-1-2-4;4*1-2(3)4;;;/h1-4H2;4*1H3,(H,3,4);;;
InChIKeySXVLBGRKUHHWMT-UHFFFAOYSA-N
XLogP-1.50
TPSA201.24 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.68
LogP ≤ 5-1.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 160967655?
The IUPAC name of CID 160967655 (CID 160967655) is not available.
What is the SMILES notation for CID 160967655?
The canonical SMILES for CID 160967655 is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.NCCN.[Na].[Na].[Zn].
What is the InChIKey of CID 160967655?
The InChIKey is SXVLBGRKUHHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4C2H4O2.2Na.Zn/c3-1-2-4;4*1-2(3)4;;;/h1-4H2;4*1H3,(H,3,4);;;.
What are the key properties of CID 160967655?
CID 160967655 has a molecular weight of 411.68 g/mol, XLogP of -1.50, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160967655 is sourced from PubChem (CID 160967655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).