CID 174914731

C9H7AlCuNO — CID 174914731

IUPAC—
SMILESOc1cccc2cccnc12.[Al].[Cu]
InChIInChI=1S/C9H7NO.Al.Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-6,11H;;
InChIKeyDGMMJMPJONTHMV-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.56
Rot. Bonds

About CID 174914731

CID 174914731 (PubChem CID 174914731) has the molecular formula C9H7AlCuNO and a molecular weight of 235.69 g/mol.

Molecular Properties

Compound NameCID 174914731
PubChem CID174914731
Molecular FormulaC9H7AlCuNO
Molecular Weight235.69 g/mol
Exact Mass234.96
IUPAC Name—
SMILESOc1cccc2cccnc12.[Al].[Cu]
InChIInChI=1S/C9H7NO.Al.Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-6,11H;;
InChIKeyDGMMJMPJONTHMV-UHFFFAOYSA-N
XLogP1.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174914731?
The IUPAC name of CID 174914731 (CID 174914731) is not available.
What is the SMILES notation for CID 174914731?
The canonical SMILES for CID 174914731 is Oc1cccc2cccnc12.[Al].[Cu].
What is the InChIKey of CID 174914731?
The InChIKey is DGMMJMPJONTHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.Al.Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-6,11H;;.
What are the key properties of CID 174914731?
CID 174914731 has a molecular weight of 235.69 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174914731 is sourced from PubChem (CID 174914731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).