CID 174367071

H5AlBNiO — CID 174367071

IUPAC—
SMILESO.[AlH3].[B].[Ni]
InChIInChI=1S/Al.B.Ni.H2O.3H/h;;;1H2;;;
InChIKeyKYWNVMRFWUTWQZ-UHFFFAOYSA-N
MW117.53 g/mol
LogP-2.39
Rot. Bonds

About CID 174367071

CID 174367071 (PubChem CID 174367071) has the molecular formula H5AlBNiO and a molecular weight of 117.53 g/mol.

Molecular Properties

Compound NameCID 174367071
PubChem CID174367071
Molecular FormulaH5AlBNiO
Molecular Weight117.53 g/mol
Exact Mass116.96
IUPAC Name—
SMILESO.[AlH3].[B].[Ni]
InChIInChI=1S/Al.B.Ni.H2O.3H/h;;;1H2;;;
InChIKeyKYWNVMRFWUTWQZ-UHFFFAOYSA-N
XLogP-2.39
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.53
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 11356249
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alumane;tungsten;trihydrate
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CID 160636812
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CID 174841371

Frequently Asked Questions

What is the IUPAC name of CID 174367071?
The IUPAC name of CID 174367071 (CID 174367071) is not available.
What is the SMILES notation for CID 174367071?
The canonical SMILES for CID 174367071 is O.[AlH3].[B].[Ni].
What is the InChIKey of CID 174367071?
The InChIKey is KYWNVMRFWUTWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.B.Ni.H2O.3H/h;;;1H2;;;.
What are the key properties of CID 174367071?
CID 174367071 has a molecular weight of 117.53 g/mol, XLogP of -2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174367071 is sourced from PubChem (CID 174367071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).