CID 148804353

C12H7AlIN — CID 148804353

IUPAC—
SMILES[Al]n1c2ccccc2c2c(I)cccc21
InChIInChI=1S/C12H7IN.Al/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11;/h1-7H;/q-1;+1
InChIKeyUUQAHGBMQZHWLT-UHFFFAOYSA-N
MW319.08 g/mol
LogP3.33
Rot. Bonds

About CID 148804353

CID 148804353 (PubChem CID 148804353) has the molecular formula C12H7AlIN and a molecular weight of 319.08 g/mol.

Molecular Properties

Compound NameCID 148804353
PubChem CID148804353
Molecular FormulaC12H7AlIN
Molecular Weight319.08 g/mol
Exact Mass318.94
IUPAC Name—
SMILES[Al]n1c2ccccc2c2c(I)cccc21
InChIInChI=1S/C12H7IN.Al/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11;/h1-7H;/q-1;+1
InChIKeyUUQAHGBMQZHWLT-UHFFFAOYSA-N
XLogP3.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 148804353?
The IUPAC name of CID 148804353 (CID 148804353) is not available.
What is the SMILES notation for CID 148804353?
The canonical SMILES for CID 148804353 is [Al]n1c2ccccc2c2c(I)cccc21.
What is the InChIKey of CID 148804353?
The InChIKey is UUQAHGBMQZHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7IN.Al/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11;/h1-7H;/q-1;+1.
What are the key properties of CID 148804353?
CID 148804353 has a molecular weight of 319.08 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148804353 is sourced from PubChem (CID 148804353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).