calcium;borinine;hydride

C5H7BCa — CID 174144693

IUPACcalcium;borinine;hydride
SMILES[Ca+2].[H-].[H-].b1ccccc1
InChIInChI=1S/C5H5B.Ca.2H/c1-2-4-6-5-3-1;;;/h1-5H;;;/q;+2;2*-1
InChIKeyAPYHCCDLGLVPAF-UHFFFAOYSA-N
MW118.00 g/mol
LogP0.87
Rot. Bonds

About calcium;borinine;hydride

calcium;borinine;hydride (PubChem CID 174144693) has the molecular formula C5H7BCa and a molecular weight of 118.00 g/mol. Its IUPAC name is calcium;borinine;hydride.

Molecular Properties

Compound Namecalcium;borinine;hydride
PubChem CID174144693
Molecular FormulaC5H7BCa
Molecular Weight118.00 g/mol
Exact Mass118.03
IUPAC Namecalcium;borinine;hydride
SMILES[Ca+2].[H-].[H-].b1ccccc1
InChIInChI=1S/C5H5B.Ca.2H/c1-2-4-6-5-3-1;;;/h1-5H;;;/q;+2;2*-1
InChIKeyAPYHCCDLGLVPAF-UHFFFAOYSA-N
XLogP0.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.00
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;borinine;hydride?
The IUPAC name of calcium;borinine;hydride (CID 174144693) is calcium;borinine;hydride.
What is the SMILES notation for calcium;borinine;hydride?
The canonical SMILES for calcium;borinine;hydride is [Ca+2].[H-].[H-].b1ccccc1.
What is the InChIKey of calcium;borinine;hydride?
The InChIKey is APYHCCDLGLVPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5B.Ca.2H/c1-2-4-6-5-3-1;;;/h1-5H;;;/q;+2;2*-1.
What are the key properties of calcium;borinine;hydride?
calcium;borinine;hydride has a molecular weight of 118.00 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;borinine;hydride is sourced from PubChem (CID 174144693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).