CID 158727828

BCrNiTi — CID 158727828

IUPAC—
SMILES[B].[Cr].[Ni].[Ti]
InChIInChI=1S/B.Cr.Ni.Ti
InChIKeyIKSOGDBNUQCKTG-UHFFFAOYSA-N
MW169.37 g/mol
LogP-0.39
Rot. Bonds

About CID 158727828

CID 158727828 (PubChem CID 158727828) has the molecular formula BCrNiTi and a molecular weight of 169.37 g/mol.

Molecular Properties

Compound NameCID 158727828
PubChem CID158727828
Molecular FormulaBCrNiTi
Molecular Weight169.37 g/mol
Exact Mass168.83
IUPAC Name—
SMILES[B].[Cr].[Ni].[Ti]
InChIInChI=1S/B.Cr.Ni.Ti
InChIKeyIKSOGDBNUQCKTG-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 158727828?
The IUPAC name of CID 158727828 (CID 158727828) is not available.
What is the SMILES notation for CID 158727828?
The canonical SMILES for CID 158727828 is [B].[Cr].[Ni].[Ti].
What is the InChIKey of CID 158727828?
The InChIKey is IKSOGDBNUQCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Cr.Ni.Ti.
What are the key properties of CID 158727828?
CID 158727828 has a molecular weight of 169.37 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158727828 is sourced from PubChem (CID 158727828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).