propane-1,2-diol;selenous acid

C3H10O5Se — CID 88681606

IUPACpropane-1,2-diol;selenous acid
SMILESCC(O)CO.O=[Se](O)O
InChIInChI=1S/C3H8O2.H2O3Se/c1-3(5)2-4;1-4(2)3/h3-5H,2H2,1H3;(H2,1,2,3)
InChIKeyDJIZIJYGRAVYSG-UHFFFAOYSA-N
MW205.07 g/mol
LogP-2.25
Rot. Bonds1

About propane-1,2-diol;selenous acid

propane-1,2-diol;selenous acid (PubChem CID 88681606) has the molecular formula C3H10O5Se and a molecular weight of 205.07 g/mol. Its IUPAC name is propane-1,2-diol;selenous acid.

Molecular Properties

Compound Namepropane-1,2-diol;selenous acid
PubChem CID88681606
Molecular FormulaC3H10O5Se
Molecular Weight205.07 g/mol
Exact Mass205.97
IUPAC Namepropane-1,2-diol;selenous acid
SMILESCC(O)CO.O=[Se](O)O
InChIInChI=1S/C3H8O2.H2O3Se/c1-3(5)2-4;1-4(2)3/h3-5H,2H2,1H3;(H2,1,2,3)
InChIKeyDJIZIJYGRAVYSG-UHFFFAOYSA-N
XLogP-2.25
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze propane-1,2-diol;selenous 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

propane-1,2-diol
CID 23506506
nitroxyl;propane-1,2-diol
CID 175455323
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
sodium;propane-1,2-diol;nitrate
CID 174898627
propane-1,2-diol;yttrium(3+);trinitrate
CID 172735884
butane-2,3-diol;selenous acid
CID 88680931
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
CID 158929584
CID 158929584
methanol;propane-1,2-diol;hydrochloride
CID 88632623
oxaldehyde;propane-1,2-diol
CID 87878594

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;selenous acid?
The IUPAC name of propane-1,2-diol;selenous acid (CID 88681606) is propane-1,2-diol;selenous acid.
What is the SMILES notation for propane-1,2-diol;selenous acid?
The canonical SMILES for propane-1,2-diol;selenous acid is CC(O)CO.O=[Se](O)O.
What is the InChIKey of propane-1,2-diol;selenous acid?
The InChIKey is DJIZIJYGRAVYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.H2O3Se/c1-3(5)2-4;1-4(2)3/h3-5H,2H2,1H3;(H2,1,2,3).
What are the key properties of propane-1,2-diol;selenous acid?
propane-1,2-diol;selenous acid has a molecular weight of 205.07 g/mol, XLogP of -2.25, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;selenous acid is sourced from PubChem (CID 88681606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).