manganese(2+);bis(5-sulfoquinolin-8-olate)

C18H12MnN2O8S2 — CID 27456

IUPACmanganese(2+);bis(5-sulfoquinolin-8-olate)
SMILESO=S(=O)(O)c1ccc([O-])c2ncccc12.O=S(=O)(O)c1ccc([O-])c2ncccc12.[Mn+2]
InChIInChI=1S/2C9H7NO4S.Mn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);/q;;+2/p-2
InChIKeyQFVBKVUINKWJBW-UHFFFAOYSA-L
MW503.37 g/mol
LogP1.11
Rot. Bonds2

About manganese(2+);bis(5-sulfoquinolin-8-olate)

manganese(2+);bis(5-sulfoquinolin-8-olate) (PubChem CID 27456) has the molecular formula C18H12MnN2O8S2 and a molecular weight of 503.37 g/mol. Its IUPAC name is manganese(2+);bis(5-sulfoquinolin-8-olate).

Molecular Properties

Compound Namemanganese(2+);bis(5-sulfoquinolin-8-olate)
PubChem CID27456
Molecular FormulaC18H12MnN2O8S2
Molecular Weight503.37 g/mol
Exact Mass502.94
IUPAC Namemanganese(2+);bis(5-sulfoquinolin-8-olate)
SMILESO=S(=O)(O)c1ccc([O-])c2ncccc12.O=S(=O)(O)c1ccc([O-])c2ncccc12.[Mn+2]
InChIInChI=1S/2C9H7NO4S.Mn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);/q;;+2/p-2
InChIKeyQFVBKVUINKWJBW-UHFFFAOYSA-L
XLogP1.11
TPSA180.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze manganese(2+);bis(5-sulfoquinolin-8-olate) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(5-sulfoquinolin-8-olate)?
The IUPAC name of manganese(2+);bis(5-sulfoquinolin-8-olate) (CID 27456) is manganese(2+);bis(5-sulfoquinolin-8-olate).
What is the SMILES notation for manganese(2+);bis(5-sulfoquinolin-8-olate)?
The canonical SMILES for manganese(2+);bis(5-sulfoquinolin-8-olate) is O=S(=O)(O)c1ccc([O-])c2ncccc12.O=S(=O)(O)c1ccc([O-])c2ncccc12.[Mn+2].
What is the InChIKey of manganese(2+);bis(5-sulfoquinolin-8-olate)?
The InChIKey is QFVBKVUINKWJBW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO4S.Mn/c2*11-7-3-4-8(15(12,13)14)6-2-1-5-10-9(6)7;/h2*1-5,11H,(H,12,13,14);/q;;+2/p-2.
What are the key properties of manganese(2+);bis(5-sulfoquinolin-8-olate)?
manganese(2+);bis(5-sulfoquinolin-8-olate) has a molecular weight of 503.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(5-sulfoquinolin-8-olate) is sourced from PubChem (CID 27456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).