CID 139596632

H2O2Se — CID 139596632

IUPAC—
SMILESO=[SeH2]=O
InChIInChI=1S/H2O2Se/c1-3-2/h3H2
InChIKeyPNVLVMSGYOBGKO-UHFFFAOYSA-N
MW112.97 g/mol
LogP-1.15
Rot. Bonds

About CID 139596632

CID 139596632 (PubChem CID 139596632) has the molecular formula H2O2Se and a molecular weight of 112.97 g/mol.

Molecular Properties

Compound NameCID 139596632
PubChem CID139596632
Molecular FormulaH2O2Se
Molecular Weight112.97 g/mol
Exact Mass113.92
IUPAC Name—
SMILESO=[SeH2]=O
InChIInChI=1S/H2O2Se/c1-3-2/h3H2
InChIKeyPNVLVMSGYOBGKO-UHFFFAOYSA-N
XLogP-1.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.97
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 139596632 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 139596632?
The IUPAC name of CID 139596632 (CID 139596632) is not available.
What is the SMILES notation for CID 139596632?
The canonical SMILES for CID 139596632 is O=[SeH2]=O.
What is the InChIKey of CID 139596632?
The InChIKey is PNVLVMSGYOBGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O2Se/c1-3-2/h3H2.
What are the key properties of CID 139596632?
CID 139596632 has a molecular weight of 112.97 g/mol, XLogP of -1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139596632 is sourced from PubChem (CID 139596632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).