CID 174725184

C13H11AlNO2 — CID 174725184

IUPAC—
SMILESOc1ccccc1.[Al].c1ccc2ocnc2c1
InChIInChI=1S/C7H5NO.C6H6O.Al/c1-2-4-7-6(3-1)8-5-9-7;7-6-4-2-1-3-5-6;/h1-5H;1-5,7H;
InChIKeyYSCSCUVRIPECLG-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.84
Rot. Bonds

About CID 174725184

CID 174725184 (PubChem CID 174725184) has the molecular formula C13H11AlNO2 and a molecular weight of 240.22 g/mol.

Molecular Properties

Compound NameCID 174725184
PubChem CID174725184
Molecular FormulaC13H11AlNO2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name—
SMILESOc1ccccc1.[Al].c1ccc2ocnc2c1
InChIInChI=1S/C7H5NO.C6H6O.Al/c1-2-4-7-6(3-1)8-5-9-7;7-6-4-2-1-3-5-6;/h1-5H;1-5,7H;
InChIKeyYSCSCUVRIPECLG-UHFFFAOYSA-N
XLogP2.84
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 174725184?
The IUPAC name of CID 174725184 (CID 174725184) is not available.
What is the SMILES notation for CID 174725184?
The canonical SMILES for CID 174725184 is Oc1ccccc1.[Al].c1ccc2ocnc2c1.
What is the InChIKey of CID 174725184?
The InChIKey is YSCSCUVRIPECLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C6H6O.Al/c1-2-4-7-6(3-1)8-5-9-7;7-6-4-2-1-3-5-6;/h1-5H;1-5,7H;.
What are the key properties of CID 174725184?
CID 174725184 has a molecular weight of 240.22 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174725184 is sourced from PubChem (CID 174725184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).