cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)

C26H20CoN2O8S2 — CID 6711571

IUPACcobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
SMILESO=S(=O)(O)c1ccc(/N=C/c2ccccc2[O-])cc1.O=S(=O)(O)c1ccc(/N=C/c2ccccc2[O-])cc1.[Co+2]
InChIInChI=1S/2C13H11NO4S.Co/c2*15-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)19(16,17)18;/h2*1-9,15H,(H,16,17,18);/q;;+2/p-2/b2*14-9+;
InChIKeyMDTMPTHMAQZIGR-ZNVPEIAMSA-L
MW611.52 g/mol
LogP3.51
Rot. Bonds6

About cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)

cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate) (PubChem CID 6711571) has the molecular formula C26H20CoN2O8S2 and a molecular weight of 611.52 g/mol. Its IUPAC name is cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate).

Molecular Properties

Compound Namecobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
PubChem CID6711571
Molecular FormulaC26H20CoN2O8S2
Molecular Weight611.52 g/mol
Exact Mass611.00
IUPAC Namecobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)
SMILESO=S(=O)(O)c1ccc(/N=C/c2ccccc2[O-])cc1.O=S(=O)(O)c1ccc(/N=C/c2ccccc2[O-])cc1.[Co+2]
InChIInChI=1S/2C13H11NO4S.Co/c2*15-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)19(16,17)18;/h2*1-9,15H,(H,16,17,18);/q;;+2/p-2/b2*14-9+;
InChIKeyMDTMPTHMAQZIGR-ZNVPEIAMSA-L
XLogP3.51
TPSA179.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.52
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate) 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 cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)?
The IUPAC name of cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate) (CID 6711571) is cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate).
What is the SMILES notation for cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)?
The canonical SMILES for cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate) is O=S(=O)(O)c1ccc(/N=C/c2ccccc2[O-])cc1.O=S(=O)(O)c1ccc(/N=C/c2ccccc2[O-])cc1.[Co+2].
What is the InChIKey of cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)?
The InChIKey is MDTMPTHMAQZIGR-ZNVPEIAMSA-L. The full InChI is InChI=1S/2C13H11NO4S.Co/c2*15-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)19(16,17)18;/h2*1-9,15H,(H,16,17,18);/q;;+2/p-2/b2*14-9+;.
What are the key properties of cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate)?
cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate) has a molecular weight of 611.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-[(4-sulfophenyl)iminomethyl]phenolate) is sourced from PubChem (CID 6711571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).