CID 158836147

CaFeTi — CID 158836147

IUPAC—
SMILES[Ca].[Fe].[Ti]
InChIInChI=1S/Ca.Fe.Ti
InChIKeyPVRVXWUNBJYBRE-UHFFFAOYSA-N
MW143.79 g/mol
LogP-0.39
Rot. Bonds

About CID 158836147

CID 158836147 (PubChem CID 158836147) has the molecular formula CaFeTi and a molecular weight of 143.79 g/mol.

Molecular Properties

Compound NameCID 158836147
PubChem CID158836147
Molecular FormulaCaFeTi
Molecular Weight143.79 g/mol
Exact Mass143.85
IUPAC Name—
SMILES[Ca].[Fe].[Ti]
InChIInChI=1S/Ca.Fe.Ti
InChIKeyPVRVXWUNBJYBRE-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.79
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 158836147?
The IUPAC name of CID 158836147 (CID 158836147) is not available.
What is the SMILES notation for CID 158836147?
The canonical SMILES for CID 158836147 is [Ca].[Fe].[Ti].
What is the InChIKey of CID 158836147?
The InChIKey is PVRVXWUNBJYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Fe.Ti.
What are the key properties of CID 158836147?
CID 158836147 has a molecular weight of 143.79 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 158836147 is sourced from PubChem (CID 158836147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).