azane;cobalt(3+);triperchlorate

H18Cl3CoN6O12 — CID 18779367

IUPACazane;cobalt(3+);triperchlorate
SMILESN.N.N.N.N.N.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3ClHO4.Co.6H3N/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H3/q;;;+3;;;;;;/p-3
InChIKeyFCNFMJGAUUQZLW-UHFFFAOYSA-K
MW459.47 g/mol
LogP-13.30
Rot. Bonds

About azane;cobalt(3+);triperchlorate

azane;cobalt(3+);triperchlorate (PubChem CID 18779367) has the molecular formula H18Cl3CoN6O12 and a molecular weight of 459.47 g/mol. Its IUPAC name is azane;cobalt(3+);triperchlorate.

Molecular Properties

Compound Nameazane;cobalt(3+);triperchlorate
PubChem CID18779367
Molecular FormulaH18Cl3CoN6O12
Molecular Weight459.47 g/mol
Exact Mass457.94
IUPAC Nameazane;cobalt(3+);triperchlorate
SMILESN.N.N.N.N.N.[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/3ClHO4.Co.6H3N/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H3/q;;;+3;;;;;;/p-3
InChIKeyFCNFMJGAUUQZLW-UHFFFAOYSA-K
XLogP-13.30
TPSA486.72 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500459.47
LogP ≤ 5-13.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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Frequently Asked Questions

What is the IUPAC name of azane;cobalt(3+);triperchlorate?
The IUPAC name of azane;cobalt(3+);triperchlorate (CID 18779367) is azane;cobalt(3+);triperchlorate.
What is the SMILES notation for azane;cobalt(3+);triperchlorate?
The canonical SMILES for azane;cobalt(3+);triperchlorate is N.N.N.N.N.N.[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?
The InChIKey is FCNFMJGAUUQZLW-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClHO4.Co.6H3N/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);;6*1H3/q;;;+3;;;;;;/p-3.
What are the key properties of azane;cobalt(3+);triperchlorate?
azane;cobalt(3+);triperchlorate has a molecular weight of 459.47 g/mol, XLogP of -13.30, 0 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cobalt(3+);triperchlorate is sourced from PubChem (CID 18779367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).