azane;carbonic acid;cobalt;hydrochloride

C3H43ClCo2N12O9 — CID 173309520

IUPACazane;carbonic acid;cobalt;hydrochloride
SMILESCl.N.N.N.N.N.N.N.N.N.N.N.N.O=C(O)O.O=C(O)O.O=C(O)O.[Co].[Co]
InChIInChI=1S/3CH2O3.ClH.2Co.12H3N/c3*2-1(3)4;;;;;;;;;;;;;;;/h3*(H2,2,3,4);1H;;;12*1H3
InChIKeyGYSALXYVPXMBKU-UHFFFAOYSA-N
MW544.77 g/mol
LogP3.03
Rot. Bonds

About azane;carbonic acid;cobalt;hydrochloride

azane;carbonic acid;cobalt;hydrochloride (PubChem CID 173309520) has the molecular formula C3H43ClCo2N12O9 and a molecular weight of 544.77 g/mol. Its IUPAC name is azane;carbonic acid;cobalt;hydrochloride.

Molecular Properties

Compound Nameazane;carbonic acid;cobalt;hydrochloride
PubChem CID173309520
Molecular FormulaC3H43ClCo2N12O9
Molecular Weight544.77 g/mol
Exact Mass544.16
IUPAC Nameazane;carbonic acid;cobalt;hydrochloride
SMILESCl.N.N.N.N.N.N.N.N.N.N.N.N.O=C(O)O.O=C(O)O.O=C(O)O.[Co].[Co]
InChIInChI=1S/3CH2O3.ClH.2Co.12H3N/c3*2-1(3)4;;;;;;;;;;;;;;;/h3*(H2,2,3,4);1H;;;12*1H3
InChIKeyGYSALXYVPXMBKU-UHFFFAOYSA-N
XLogP3.03
TPSA592.59 Ų
H-Bond Donors18
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500544.77
LogP ≤ 53.03
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1015

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;cobalt;hydrochloride?
The IUPAC name of azane;carbonic acid;cobalt;hydrochloride (CID 173309520) is azane;carbonic acid;cobalt;hydrochloride.
What is the SMILES notation for azane;carbonic acid;cobalt;hydrochloride?
The canonical SMILES for azane;carbonic acid;cobalt;hydrochloride is Cl.N.N.N.N.N.N.N.N.N.N.N.N.O=C(O)O.O=C(O)O.O=C(O)O.[Co].[Co].
What is the InChIKey of azane;carbonic acid;cobalt;hydrochloride?
The InChIKey is GYSALXYVPXMBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH2O3.ClH.2Co.12H3N/c3*2-1(3)4;;;;;;;;;;;;;;;/h3*(H2,2,3,4);1H;;;12*1H3.
What are the key properties of azane;carbonic acid;cobalt;hydrochloride?
azane;carbonic acid;cobalt;hydrochloride has a molecular weight of 544.77 g/mol, XLogP of 3.03, 0 rotatable bonds, 18 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;cobalt;hydrochloride is sourced from PubChem (CID 173309520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).