CID 131880637

C6H6N6O6Pb3 — CID 131880637

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Pb].[Pb].[Pb]
InChIInChI=1S/2C3H3N3O3.3Pb/c2*7-1-4-2(8)6-3(9)5-1;;;/h2*(H3,4,5,6,7,8,9);;;
InChIKeySTGKBZBNSVAPKO-UHFFFAOYSA-N
MW879.75 g/mol
LogP-5.64
Rot. Bonds

About CID 131880637

CID 131880637 (PubChem CID 131880637) has the molecular formula C6H6N6O6Pb3 and a molecular weight of 879.75 g/mol.

Molecular Properties

Compound NameCID 131880637
PubChem CID131880637
Molecular FormulaC6H6N6O6Pb3
Molecular Weight879.75 g/mol
Exact Mass881.96
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Pb].[Pb].[Pb]
InChIInChI=1S/2C3H3N3O3.3Pb/c2*7-1-4-2(8)6-3(9)5-1;;;/h2*(H3,4,5,6,7,8,9);;;
InChIKeySTGKBZBNSVAPKO-UHFFFAOYSA-N
XLogP-5.64
TPSA197.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.75
LogP ≤ 5-5.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 131880637?
The IUPAC name of CID 131880637 (CID 131880637) is not available.
What is the SMILES notation for CID 131880637?
The canonical SMILES for CID 131880637 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Pb].[Pb].[Pb].
What is the InChIKey of CID 131880637?
The InChIKey is STGKBZBNSVAPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3O3.3Pb/c2*7-1-4-2(8)6-3(9)5-1;;;/h2*(H3,4,5,6,7,8,9);;;.
What are the key properties of CID 131880637?
CID 131880637 has a molecular weight of 879.75 g/mol, XLogP of -5.64, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131880637 is sourced from PubChem (CID 131880637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).