CID 173242333

CaCl2F2Mn2O4P2Sb2 — CID 173242333

IUPAC—
SMILESO=P([O-])(F)Cl.O=P([O-])(F)Cl.[Ca+2].[Mn].[Mn].[Sb].[Sb]
InChIInChI=1S/Ca.2ClFHO2P.2Mn.2Sb/c;2*1-5(2,3)4;;;;/h;2*(H,3,4);;;;/q+2;;;;;;/p-2
InChIKeySUHYGIJNCGUIIM-UHFFFAOYSA-L
MW628.32 g/mol
LogP0.18
Rot. Bonds

About CID 173242333

CID 173242333 (PubChem CID 173242333) has the molecular formula CaCl2F2Mn2O4P2Sb2 and a molecular weight of 628.32 g/mol.

Molecular Properties

Compound NameCID 173242333
PubChem CID173242333
Molecular FormulaCaCl2F2Mn2O4P2Sb2
Molecular Weight628.32 g/mol
Exact Mass625.51
IUPAC Name—
SMILESO=P([O-])(F)Cl.O=P([O-])(F)Cl.[Ca+2].[Mn].[Mn].[Sb].[Sb]
InChIInChI=1S/Ca.2ClFHO2P.2Mn.2Sb/c;2*1-5(2,3)4;;;;/h;2*(H,3,4);;;;/q+2;;;;;;/p-2
InChIKeySUHYGIJNCGUIIM-UHFFFAOYSA-L
XLogP0.18
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.32
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 173242333 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

calcium;chloro(fluoro)phosphinate;manganese;stibane
CID 173242332
calcium;strontium;chloro(fluoro)phosphinate
CID 159938270
calcium;cadmium(2+);chloro(fluoro)phosphinate
CID 160785742
calcium;bis(dichlorophosphinate);tetrahydrate
CID 90475593
tetracopper;tetrakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 175200090
chloro-dioxido-oxo-λ5-phosphane;tin(2+)
CID 175266228
tris(difluorophosphinate);silver
CID 175763297
fluoro-[fluoro(oxido)phosphoryl]phosphinate
CID 23413898
chloro(fluoro)phosphinic acid;manganese;stibane
CID 173364992
pentacalcium;phosphate
CID 23104844
molybdenum diphosphate
CID 22395595
lithium;fluoro-dioxido-oxo-λ5-phosphane;iron(2+)
CID 158027187

Frequently Asked Questions

What is the IUPAC name of CID 173242333?
The IUPAC name of CID 173242333 (CID 173242333) is not available.
What is the SMILES notation for CID 173242333?
The canonical SMILES for CID 173242333 is O=P([O-])(F)Cl.O=P([O-])(F)Cl.[Ca+2].[Mn].[Mn].[Sb].[Sb].
What is the InChIKey of CID 173242333?
The InChIKey is SUHYGIJNCGUIIM-UHFFFAOYSA-L. The full InChI is InChI=1S/Ca.2ClFHO2P.2Mn.2Sb/c;2*1-5(2,3)4;;;;/h;2*(H,3,4);;;;/q+2;;;;;;/p-2.
What are the key properties of CID 173242333?
CID 173242333 has a molecular weight of 628.32 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173242333 is sourced from PubChem (CID 173242333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).