CID 174143289

H3BMnO4P — CID 174143289

IUPAC
SMILESO=P(O)(O)O.[B].[Mn]
InChIInChI=1S/B.Mn.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)
InChIKeyPWYFXWWRCYUUBM-UHFFFAOYSA-N
MW163.74 g/mol
LogP-1.31
Rot. Bonds

About CID 174143289

CID 174143289 (PubChem CID 174143289) has the molecular formula H3BMnO4P and a molecular weight of 163.74 g/mol.

Molecular Properties

Compound NameCID 174143289
PubChem CID174143289
Molecular FormulaH3BMnO4P
Molecular Weight163.74 g/mol
Exact Mass163.92
IUPAC Name
SMILESO=P(O)(O)O.[B].[Mn]
InChIInChI=1S/B.Mn.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)
InChIKeyPWYFXWWRCYUUBM-UHFFFAOYSA-N
XLogP-1.31
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.74
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174143289?
The IUPAC name of CID 174143289 (CID 174143289) is not available.
What is the SMILES notation for CID 174143289?
The canonical SMILES for CID 174143289 is O=P(O)(O)O.[B].[Mn].
What is the InChIKey of CID 174143289?
The InChIKey is PWYFXWWRCYUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Mn.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4).
What are the key properties of CID 174143289?
CID 174143289 has a molecular weight of 163.74 g/mol, XLogP of -1.31, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174143289 is sourced from PubChem (CID 174143289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).