CID 159579137

H2BNSc — CID 159579137

IUPAC—
SMILES[B]N.[Sc]
InChIInChI=1S/BH2N.Sc/c1-2;/h2H2;
InChIKeyKJDGINYRRUMQLK-UHFFFAOYSA-N
MW71.79 g/mol
LogP-0.97
Rot. Bonds

About CID 159579137

CID 159579137 (PubChem CID 159579137) has the molecular formula H2BNSc and a molecular weight of 71.79 g/mol.

Molecular Properties

Compound NameCID 159579137
PubChem CID159579137
Molecular FormulaH2BNSc
Molecular Weight71.79 g/mol
Exact Mass71.98
IUPAC Name—
SMILES[B]N.[Sc]
InChIInChI=1S/BH2N.Sc/c1-2;/h2H2;
InChIKeyKJDGINYRRUMQLK-UHFFFAOYSA-N
XLogP-0.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.79
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 159579137?
The IUPAC name of CID 159579137 (CID 159579137) is not available.
What is the SMILES notation for CID 159579137?
The canonical SMILES for CID 159579137 is [B]N.[Sc].
What is the InChIKey of CID 159579137?
The InChIKey is KJDGINYRRUMQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2N.Sc/c1-2;/h2H2;.
What are the key properties of CID 159579137?
CID 159579137 has a molecular weight of 71.79 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159579137 is sourced from PubChem (CID 159579137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).