azane;cobalt(3+);triperchlorate;dihydrate

H16Cl3CoN4O14 — CID 11059589

IUPACazane;cobalt(3+);triperchlorate;dihydrate
SMILESN.N.N.N.O.O.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3ClHO4.Co.4H3N.2H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;4*1H3;2*1H2/q;;;+3;;;;;;/p-3
InChIKeyCOEJORATBXNQDD-UHFFFAOYSA-K
MW461.43 g/mol
LogP-15.27
Rot. Bonds

About azane;cobalt(3+);triperchlorate;dihydrate

azane;cobalt(3+);triperchlorate;dihydrate (PubChem CID 11059589) has the molecular formula H16Cl3CoN4O14 and a molecular weight of 461.43 g/mol. Its IUPAC name is azane;cobalt(3+);triperchlorate;dihydrate.

Molecular Properties

Compound Nameazane;cobalt(3+);triperchlorate;dihydrate
PubChem CID11059589
Molecular FormulaH16Cl3CoN4O14
Molecular Weight461.43 g/mol
Exact Mass459.91
IUPAC Nameazane;cobalt(3+);triperchlorate;dihydrate
SMILESN.N.N.N.O.O.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3ClHO4.Co.4H3N.2H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;4*1H3;2*1H2/q;;;+3;;;;;;/p-3
InChIKeyCOEJORATBXNQDD-UHFFFAOYSA-K
XLogP-15.27
TPSA479.72 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.43
LogP ≤ 5-15.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of azane;cobalt(3+);triperchlorate;dihydrate?
The IUPAC name of azane;cobalt(3+);triperchlorate;dihydrate (CID 11059589) is azane;cobalt(3+);triperchlorate;dihydrate.
What is the SMILES notation for azane;cobalt(3+);triperchlorate;dihydrate?
The canonical SMILES for azane;cobalt(3+);triperchlorate;dihydrate is N.N.N.N.O.O.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of azane;cobalt(3+);triperchlorate;dihydrate?
The InChIKey is COEJORATBXNQDD-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClHO4.Co.4H3N.2H2O/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;4*1H3;2*1H2/q;;;+3;;;;;;/p-3.
What are the key properties of azane;cobalt(3+);triperchlorate;dihydrate?
azane;cobalt(3+);triperchlorate;dihydrate has a molecular weight of 461.43 g/mol, XLogP of -15.27, 0 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cobalt(3+);triperchlorate;dihydrate is sourced from PubChem (CID 11059589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).