CID 157068384

HBaOPTi — CID 157068384

IUPAC—
SMILESO=P.[Ba].[Ti]
InChIInChI=1S/Ba.HOP.Ti/c;1-2;/h;2H;
InChIKeyUNPOGOJOPWMQSK-UHFFFAOYSA-N
MW233.18 g/mol
LogP0.09
Rot. Bonds

About CID 157068384

CID 157068384 (PubChem CID 157068384) has the molecular formula HBaOPTi and a molecular weight of 233.18 g/mol.

Molecular Properties

Compound NameCID 157068384
PubChem CID157068384
Molecular FormulaHBaOPTi
Molecular Weight233.18 g/mol
Exact Mass233.83
IUPAC Name—
SMILESO=P.[Ba].[Ti]
InChIInChI=1S/Ba.HOP.Ti/c;1-2;/h;2H;
InChIKeyUNPOGOJOPWMQSK-UHFFFAOYSA-N
XLogP0.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157068384?
The IUPAC name of CID 157068384 (CID 157068384) is not available.
What is the SMILES notation for CID 157068384?
The canonical SMILES for CID 157068384 is O=P.[Ba].[Ti].
What is the InChIKey of CID 157068384?
The InChIKey is UNPOGOJOPWMQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.HOP.Ti/c;1-2;/h;2H;.
What are the key properties of CID 157068384?
CID 157068384 has a molecular weight of 233.18 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157068384 is sourced from PubChem (CID 157068384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).