CID 172999354

I3In- — CID 172999354

IUPAC—
SMILESI[I-]I.[In]
InChIInChI=1S/I3.In/c1-3-2;/q-1;
InChIKeyLHXICTGCBHSNON-UHFFFAOYSA-N
MW495.53 g/mol
LogP-1.61
Rot. Bonds

About CID 172999354

CID 172999354 (PubChem CID 172999354) has the molecular formula I3In- and a molecular weight of 495.53 g/mol.

Molecular Properties

Compound NameCID 172999354
PubChem CID172999354
Molecular FormulaI3In-
Molecular Weight495.53 g/mol
Exact Mass495.62
IUPAC Name—
SMILESI[I-]I.[In]
InChIInChI=1S/I3.In/c1-3-2;/q-1;
InChIKeyLHXICTGCBHSNON-UHFFFAOYSA-N
XLogP-1.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172999354?
The IUPAC name of CID 172999354 (CID 172999354) is not available.
What is the SMILES notation for CID 172999354?
The canonical SMILES for CID 172999354 is I[I-]I.[In].
What is the InChIKey of CID 172999354?
The InChIKey is LHXICTGCBHSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/I3.In/c1-3-2;/q-1;.
What are the key properties of CID 172999354?
CID 172999354 has a molecular weight of 495.53 g/mol, XLogP of -1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172999354 is sourced from PubChem (CID 172999354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).