λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol

C6H5N3O8Pb — CID 173370701

IUPACλ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O.[PbH2]
InChIInChI=1S/C6H3N3O8.Pb.2H/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;;/h1,10-11H;;;
InChIKeyFHDZWCZABNLCNX-UHFFFAOYSA-N
MW454.32 g/mol
LogP-0.09
Rot. Bonds3

About λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol

λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol (PubChem CID 173370701) has the molecular formula C6H5N3O8Pb and a molecular weight of 454.32 g/mol. Its IUPAC name is λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol.

Molecular Properties

Compound Nameλ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
PubChem CID173370701
Molecular FormulaC6H5N3O8Pb
Molecular Weight454.32 g/mol
Exact Mass454.98
IUPAC Nameλ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O.[PbH2]
InChIInChI=1S/C6H3N3O8.Pb.2H/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;;/h1,10-11H;;;
InChIKeyFHDZWCZABNLCNX-UHFFFAOYSA-N
XLogP-0.09
TPSA169.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol 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

2,4,6-trinitrobenzene-1,3-diol
CID 20534541
2,4,6-trinitro-3-(2,4,6-trinitrophenyl)phenol
CID 14927164
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
2,4,6-trinitro-3-(2-nitrophenyl)phenol
CID 22345898
4-[(2-hydroxyphenyl)diazenyl]-2,6-dinitrobenzene-1,3-diol
CID 136827509
CID 158436799
CID 158436799
4,5-dinitrobenzene-1,2,3-triol
CID 19107665
cobalt;2,4,6-trinitrophenol
CID 88826081
thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
CID 87277719
CID 87277719

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol?
The IUPAC name of λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol (CID 173370701) is λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol.
What is the SMILES notation for λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol?
The canonical SMILES for λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O.[PbH2].
What is the InChIKey of λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol?
The InChIKey is FHDZWCZABNLCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O8.Pb.2H/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;;/h1,10-11H;;;.
What are the key properties of λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol?
λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol has a molecular weight of 454.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol is sourced from PubChem (CID 173370701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).