cyclohexa-3,5-diene-1,2-dione;perchloric acid

C6H5ClO6 — CID 162153120

IUPACcyclohexa-3,5-diene-1,2-dione;perchloric acid
SMILESO=C1C=CC=CC1=O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H4O2.ClHO4/c7-5-3-1-2-4-6(5)8;2-1(3,4)5/h1-4H;(H,2,3,4,5)
InChIKeyZLLYLZWLGSBMRY-UHFFFAOYSA-N
MW208.55 g/mol
LogP-3.87
Rot. Bonds

About cyclohexa-3,5-diene-1,2-dione;perchloric acid

cyclohexa-3,5-diene-1,2-dione;perchloric acid (PubChem CID 162153120) has the molecular formula C6H5ClO6 and a molecular weight of 208.55 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,2-dione;perchloric acid.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,2-dione;perchloric acid
PubChem CID162153120
Molecular FormulaC6H5ClO6
Molecular Weight208.55 g/mol
Exact Mass207.98
IUPAC Namecyclohexa-3,5-diene-1,2-dione;perchloric acid
SMILESO=C1C=CC=CC1=O.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H4O2.ClHO4/c7-5-3-1-2-4-6(5)8;2-1(3,4)5/h1-4H;(H,2,3,4,5)
InChIKeyZLLYLZWLGSBMRY-UHFFFAOYSA-N
XLogP-3.87
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.55
LogP ≤ 5-3.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze cyclohexa-3,5-diene-1,2-dione;perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexa-3,5-diene-1,2-dione;iron
CID 67784673
cyclohexa-3,5-diene-1,2-dione;piperazine
CID 174374612
CID 173089418
CID 173089418
CID 45051842
CID 45051842
zinc;oxygen(2-);perchloric acid
CID 158823129
CID 158916953
CID 158916953
methanol;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;oxomolybdenum
CID 6850315
cyclohepta-4,6-diene-1,2,3-trione;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 159253818
(6E)-6-[(N-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-one
CID 5368324
2H-chromen-1-ium-8-one perchlorate
CID 87131422
(2S)-2-amino-3-phenylpropanoic acid;cyclohexa-3,5-diene-1,2-dione
CID 70268504
3-(hydroxymethoxy)cyclohexa-3,5-diene-1,2-dione
CID 141171076

Frequently Asked Questions

What is the IUPAC name of cyclohexa-3,5-diene-1,2-dione;perchloric acid?
The IUPAC name of cyclohexa-3,5-diene-1,2-dione;perchloric acid (CID 162153120) is cyclohexa-3,5-diene-1,2-dione;perchloric acid.
What is the SMILES notation for cyclohexa-3,5-diene-1,2-dione;perchloric acid?
The canonical SMILES for cyclohexa-3,5-diene-1,2-dione;perchloric acid is O=C1C=CC=CC1=O.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of cyclohexa-3,5-diene-1,2-dione;perchloric acid?
The InChIKey is ZLLYLZWLGSBMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2.ClHO4/c7-5-3-1-2-4-6(5)8;2-1(3,4)5/h1-4H;(H,2,3,4,5).
What are the key properties of cyclohexa-3,5-diene-1,2-dione;perchloric acid?
cyclohexa-3,5-diene-1,2-dione;perchloric acid has a molecular weight of 208.55 g/mol, XLogP of -3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,2-dione;perchloric acid is sourced from PubChem (CID 162153120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).