CID 174665515

H7BCaN2 — CID 174665515

IUPAC—
SMILESN.[B]N.[Ca+2].[H-].[H-]
InChIInChI=1S/BH2N.Ca.H3N.2H/c1-2;;;;/h2H2;;1H3;;/q;+2;;2*-1
InChIKeyMSNAABYWTVNBHR-UHFFFAOYSA-N
MW85.96 g/mol
LogP-0.97
Rot. Bonds

About CID 174665515

CID 174665515 (PubChem CID 174665515) has the molecular formula H7BCaN2 and a molecular weight of 85.96 g/mol.

Molecular Properties

Compound NameCID 174665515
PubChem CID174665515
Molecular FormulaH7BCaN2
Molecular Weight85.96 g/mol
Exact Mass86.03
IUPAC Name—
SMILESN.[B]N.[Ca+2].[H-].[H-]
InChIInChI=1S/BH2N.Ca.H3N.2H/c1-2;;;;/h2H2;;1H3;;/q;+2;;2*-1
InChIKeyMSNAABYWTVNBHR-UHFFFAOYSA-N
XLogP-0.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.96
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174665515?
The IUPAC name of CID 174665515 (CID 174665515) is not available.
What is the SMILES notation for CID 174665515?
The canonical SMILES for CID 174665515 is N.[B]N.[Ca+2].[H-].[H-].
What is the InChIKey of CID 174665515?
The InChIKey is MSNAABYWTVNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2N.Ca.H3N.2H/c1-2;;;;/h2H2;;1H3;;/q;+2;;2*-1.
What are the key properties of CID 174665515?
CID 174665515 has a molecular weight of 85.96 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174665515 is sourced from PubChem (CID 174665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).