CID 54604144

C9H7NOSb — CID 54604144

IUPAC—
SMILESOc1cccc2cccnc12.[Sb]
InChIInChI=1S/C9H7NO.Sb/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;
InChIKeyUCDAOQHRGYXFFM-UHFFFAOYSA-N
MW266.92 g/mol
LogP1.56
Rot. Bonds

About CID 54604144

CID 54604144 (PubChem CID 54604144) has the molecular formula C9H7NOSb and a molecular weight of 266.92 g/mol.

Molecular Properties

Compound NameCID 54604144
PubChem CID54604144
Molecular FormulaC9H7NOSb
Molecular Weight266.92 g/mol
Exact Mass265.96
IUPAC Name—
SMILESOc1cccc2cccnc12.[Sb]
InChIInChI=1S/C9H7NO.Sb/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;
InChIKeyUCDAOQHRGYXFFM-UHFFFAOYSA-N
XLogP1.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 54604144?
The IUPAC name of CID 54604144 (CID 54604144) is not available.
What is the SMILES notation for CID 54604144?
The canonical SMILES for CID 54604144 is Oc1cccc2cccnc12.[Sb].
What is the InChIKey of CID 54604144?
The InChIKey is UCDAOQHRGYXFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.Sb/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;.
What are the key properties of CID 54604144?
CID 54604144 has a molecular weight of 266.92 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 54604144 is sourced from PubChem (CID 54604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).