CID 175497525

H3BInTi — CID 175497525

IUPAC—
SMILES[B].[InH3].[Ti]
InChIInChI=1S/B.In.Ti.3H
InChIKeyNPFSMGCOVDYLME-UHFFFAOYSA-N
MW176.52 g/mol
LogP-1.57
Rot. Bonds

About CID 175497525

CID 175497525 (PubChem CID 175497525) has the molecular formula H3BInTi and a molecular weight of 176.52 g/mol.

Molecular Properties

Compound NameCID 175497525
PubChem CID175497525
Molecular FormulaH3BInTi
Molecular Weight176.52 g/mol
Exact Mass176.88
IUPAC Name—
SMILES[B].[InH3].[Ti]
InChIInChI=1S/B.In.Ti.3H
InChIKeyNPFSMGCOVDYLME-UHFFFAOYSA-N
XLogP-1.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.52
LogP ≤ 5-1.57
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 175497525?
The IUPAC name of CID 175497525 (CID 175497525) is not available.
What is the SMILES notation for CID 175497525?
The canonical SMILES for CID 175497525 is [B].[InH3].[Ti].
What is the InChIKey of CID 175497525?
The InChIKey is NPFSMGCOVDYLME-UHFFFAOYSA-N. The full InChI is InChI=1S/B.In.Ti.3H.
What are the key properties of CID 175497525?
CID 175497525 has a molecular weight of 176.52 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175497525 is sourced from PubChem (CID 175497525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).