CID 173183203

C8H24AlCl8N4O8Zr — CID 173183203

IUPAC—
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al].[Zr+4]
InChIInChI=1S/4C2H5NO2.Al.8ClH.Zr/c4*3-1-2(4)5;;;;;;;;;;/h4*1,3H2,(H,4,5);;8*1H;/q;;;;;;;;;;;;;+4/p-4
InChIKeyKHMJEMMXUQNWNV-UHFFFAOYSA-J
MW706.13 g/mol
LogP-6.23
Rot. Bonds4

About CID 173183203

CID 173183203 (PubChem CID 173183203) has the molecular formula C8H24AlCl8N4O8Zr and a molecular weight of 706.13 g/mol.

Molecular Properties

Compound NameCID 173183203
PubChem CID173183203
Molecular FormulaC8H24AlCl8N4O8Zr
Molecular Weight706.13 g/mol
Exact Mass700.80
IUPAC Name—
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al].[Zr+4]
InChIInChI=1S/4C2H5NO2.Al.8ClH.Zr/c4*3-1-2(4)5;;;;;;;;;;/h4*1,3H2,(H,4,5);;8*1H;/q;;;;;;;;;;;;;+4/p-4
InChIKeyKHMJEMMXUQNWNV-UHFFFAOYSA-J
XLogP-6.23
TPSA264.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.13
LogP ≤ 5-6.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze CID 173183203 with MolForge

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

Launch Full Analysis

Related Compounds

tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
CID 175035825
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
aluminum tris(2-aminoacetate)
CID 6452712
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
copper;bis(2-aminoacetate);hydrate
CID 139067245
trisodium;2-aminoacetate;diacetate
CID 20975811
2-aminoacetate;iron(3+);diacetate
CID 174987571
sodium;2-aminoacetate;chromium(3+);trichloride
CID 24848593

Frequently Asked Questions

What is the IUPAC name of CID 173183203?
The IUPAC name of CID 173183203 (CID 173183203) is not available.
What is the SMILES notation for CID 173183203?
The canonical SMILES for CID 173183203 is Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].[Al].[Zr+4].
What is the InChIKey of CID 173183203?
The InChIKey is KHMJEMMXUQNWNV-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H5NO2.Al.8ClH.Zr/c4*3-1-2(4)5;;;;;;;;;;/h4*1,3H2,(H,4,5);;8*1H;/q;;;;;;;;;;;;;+4/p-4.
What are the key properties of CID 173183203?
CID 173183203 has a molecular weight of 706.13 g/mol, XLogP of -6.23, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173183203 is sourced from PubChem (CID 173183203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).