tetraazanium;benzene-1,2,3,4-tetracarboxylate

C10H18N4O8 — CID 69282657

IUPACtetraazanium;benzene-1,2,3,4-tetracarboxylate
SMILESO=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C10H6O8.4H3N/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3
InChIKeyKOOLMABFSWIFCR-UHFFFAOYSA-N
MW322.27 g/mol
LogP-3.35
Rot. Bonds4

About tetraazanium;benzene-1,2,3,4-tetracarboxylate

tetraazanium;benzene-1,2,3,4-tetracarboxylate (PubChem CID 69282657) has the molecular formula C10H18N4O8 and a molecular weight of 322.27 g/mol. Its IUPAC name is tetraazanium;benzene-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetraazanium;benzene-1,2,3,4-tetracarboxylate
PubChem CID69282657
Molecular FormulaC10H18N4O8
Molecular Weight322.27 g/mol
Exact Mass322.11
IUPAC Nametetraazanium;benzene-1,2,3,4-tetracarboxylate
SMILESO=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/C10H6O8.4H3N/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3
InChIKeyKOOLMABFSWIFCR-UHFFFAOYSA-N
XLogP-3.35
TPSA306.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 5-3.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetraazanium;benzene-1,2,3,4-tetracarboxylate?
The IUPAC name of tetraazanium;benzene-1,2,3,4-tetracarboxylate (CID 69282657) is tetraazanium;benzene-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetraazanium;benzene-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetraazanium;benzene-1,2,3,4-tetracarboxylate is O=C([O-])c1ccc(C(=O)[O-])c(C(=O)[O-])c1C(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of tetraazanium;benzene-1,2,3,4-tetracarboxylate?
The InChIKey is KOOLMABFSWIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4H3N/c11-7(12)3-1-2-4(8(13)14)6(10(17)18)5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3.
What are the key properties of tetraazanium;benzene-1,2,3,4-tetracarboxylate?
tetraazanium;benzene-1,2,3,4-tetracarboxylate has a molecular weight of 322.27 g/mol, XLogP of -3.35, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;benzene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 69282657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).