CID 142761517

C5H2In2O4 — CID 142761517

IUPAC—
SMILESO=C1/C=C\C(=O)OC(=[In])[In]O1
InChIInChI=1S/C5H3O4.2In/c1-9-5(8)3-2-4(6)7;;/h2-3H,(H,6,7);;/q;;+1/p-1/b3-2-;;
InChIKeySFOOPXBQXYPCAR-BGQPXYRPSA-M
MW355.70 g/mol
LogP-1.48
Rot. Bonds

About CID 142761517

CID 142761517 (PubChem CID 142761517) has the molecular formula C5H2In2O4 and a molecular weight of 355.70 g/mol.

Molecular Properties

Compound NameCID 142761517
PubChem CID142761517
Molecular FormulaC5H2In2O4
Molecular Weight355.70 g/mol
Exact Mass355.80
IUPAC Name—
SMILESO=C1/C=C\C(=O)OC(=[In])[In]O1
InChIInChI=1S/C5H3O4.2In/c1-9-5(8)3-2-4(6)7;;/h2-3H,(H,6,7);;/q;;+1/p-1/b3-2-;;
InChIKeySFOOPXBQXYPCAR-BGQPXYRPSA-M
XLogP-1.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.70
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze CID 142761517 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 142761517?
The IUPAC name of CID 142761517 (CID 142761517) is not available.
What is the SMILES notation for CID 142761517?
The canonical SMILES for CID 142761517 is O=C1/C=C\C(=O)OC(=[In])[In]O1.
What is the InChIKey of CID 142761517?
The InChIKey is SFOOPXBQXYPCAR-BGQPXYRPSA-M. The full InChI is InChI=1S/C5H3O4.2In/c1-9-5(8)3-2-4(6)7;;/h2-3H,(H,6,7);;/q;;+1/p-1/b3-2-;;.
What are the key properties of CID 142761517?
CID 142761517 has a molecular weight of 355.70 g/mol, XLogP of -1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142761517 is sourced from PubChem (CID 142761517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).