acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate

C10H24ClN2O5Pt-2 — CID 59852545

IUPACacetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate
SMILESCC(=O)O.CC(=O)O.Cl[Pt].O.[NH-]C1CCCCC1.[NH2-]
InChIInChI=1S/C6H12N.2C2H4O2.ClH.H2N.H2O.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6-7H,1-5H2;2*1H3,(H,3,4);1H;2*1H2;/q-1;;;;-1;;+1/p-1
InChIKeyPPYAFVUBOPHDLI-UHFFFAOYSA-M
MW482.84 g/mol
LogP3.13
Rot. Bonds

About acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate

acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate (PubChem CID 59852545) has the molecular formula C10H24ClN2O5Pt-2 and a molecular weight of 482.84 g/mol. Its IUPAC name is acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate.

Molecular Properties

Compound Nameacetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate
PubChem CID59852545
Molecular FormulaC10H24ClN2O5Pt-2
Molecular Weight482.84 g/mol
Exact Mass482.10
IUPAC Nameacetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate
SMILESCC(=O)O.CC(=O)O.Cl[Pt].O.[NH-]C1CCCCC1.[NH2-]
InChIInChI=1S/C6H12N.2C2H4O2.ClH.H2N.H2O.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6-7H,1-5H2;2*1H3,(H,3,4);1H;2*1H2;/q-1;;;;-1;;+1/p-1
InChIKeyPPYAFVUBOPHDLI-UHFFFAOYSA-M
XLogP3.13
TPSA163.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate?
The IUPAC name of acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate (CID 59852545) is acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate.
What is the SMILES notation for acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate?
The canonical SMILES for acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate is CC(=O)O.CC(=O)O.Cl[Pt].O.[NH-]C1CCCCC1.[NH2-].
What is the InChIKey of acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate?
The InChIKey is PPYAFVUBOPHDLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N.2C2H4O2.ClH.H2N.H2O.Pt/c7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h6-7H,1-5H2;2*1H3,(H,3,4);1H;2*1H2;/q-1;;;;-1;;+1/p-1.
What are the key properties of acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate?
acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate has a molecular weight of 482.84 g/mol, XLogP of 3.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azanide;chloroplatinum;cyclohexylazanide;hydrate is sourced from PubChem (CID 59852545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).