CID 174410906

C6H10BCsO2 — CID 174410906

IUPAC—
SMILESO.O.[B]c1ccccc1.[Cs+].[H-]
InChIInChI=1S/C6H5B.Cs.2H2O.H/c7-6-4-2-1-3-5-6;;;;/h1-5H;;2*1H2;/q;+1;;;-1
InChIKeyIAHWQMPMEGVIPZ-UHFFFAOYSA-N
MW257.86 g/mol
LogP-4.05
Rot. Bonds

About CID 174410906

CID 174410906 (PubChem CID 174410906) has the molecular formula C6H10BCsO2 and a molecular weight of 257.86 g/mol.

Molecular Properties

Compound NameCID 174410906
PubChem CID174410906
Molecular FormulaC6H10BCsO2
Molecular Weight257.86 g/mol
Exact Mass257.98
IUPAC Name—
SMILESO.O.[B]c1ccccc1.[Cs+].[H-]
InChIInChI=1S/C6H5B.Cs.2H2O.H/c7-6-4-2-1-3-5-6;;;;/h1-5H;;2*1H2;/q;+1;;;-1
InChIKeyIAHWQMPMEGVIPZ-UHFFFAOYSA-N
XLogP-4.05
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.86
LogP ≤ 5-4.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174410906?
The IUPAC name of CID 174410906 (CID 174410906) is not available.
What is the SMILES notation for CID 174410906?
The canonical SMILES for CID 174410906 is O.O.[B]c1ccccc1.[Cs+].[H-].
What is the InChIKey of CID 174410906?
The InChIKey is IAHWQMPMEGVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5B.Cs.2H2O.H/c7-6-4-2-1-3-5-6;;;;/h1-5H;;2*1H2;/q;+1;;;-1.
What are the key properties of CID 174410906?
CID 174410906 has a molecular weight of 257.86 g/mol, XLogP of -4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174410906 is sourced from PubChem (CID 174410906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).