CID 154689071

C12H12NO3Sb — CID 154689071

IUPAC—
SMILESCC(=O)c1c(C)[nH]c(C=O)c1-c1ccco1.[SbH]
InChIInChI=1S/C12H11NO3.Sb.H/c1-7-11(8(2)15)12(9(6-14)13-7)10-4-3-5-16-10;;/h3-6,13H,1-2H3;;
InChIKeyLVZWKHPMJXHWPJ-UHFFFAOYSA-N
MW339.99 g/mol
LogP1.95
Rot. Bonds3

About CID 154689071

CID 154689071 (PubChem CID 154689071) has the molecular formula C12H12NO3Sb and a molecular weight of 339.99 g/mol.

Molecular Properties

Compound NameCID 154689071
PubChem CID154689071
Molecular FormulaC12H12NO3Sb
Molecular Weight339.99 g/mol
Exact Mass338.99
IUPAC Name—
SMILESCC(=O)c1c(C)[nH]c(C=O)c1-c1ccco1.[SbH]
InChIInChI=1S/C12H11NO3.Sb.H/c1-7-11(8(2)15)12(9(6-14)13-7)10-4-3-5-16-10;;/h3-6,13H,1-2H3;;
InChIKeyLVZWKHPMJXHWPJ-UHFFFAOYSA-N
XLogP1.95
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.99
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 154689071?
The IUPAC name of CID 154689071 (CID 154689071) is not available.
What is the SMILES notation for CID 154689071?
The canonical SMILES for CID 154689071 is CC(=O)c1c(C)[nH]c(C=O)c1-c1ccco1.[SbH].
What is the InChIKey of CID 154689071?
The InChIKey is LVZWKHPMJXHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3.Sb.H/c1-7-11(8(2)15)12(9(6-14)13-7)10-4-3-5-16-10;;/h3-6,13H,1-2H3;;.
What are the key properties of CID 154689071?
CID 154689071 has a molecular weight of 339.99 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154689071 is sourced from PubChem (CID 154689071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).