CID 175932180

C9H11NO4Si — CID 175932180

IUPAC—
SMILESN[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.[Si]
InChIInChI=1S/C9H11NO4.Si/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h1-2,4,6,11-12H,3,10H2,(H,13,14);/t6-;/m0./s1
InChIKeyGEUMIDHDMZPTDW-RGMNGODLSA-N
MW225.28 g/mol
LogP-0.33
Rot. Bonds3

About CID 175932180

CID 175932180 (PubChem CID 175932180) has the molecular formula C9H11NO4Si and a molecular weight of 225.28 g/mol.

Molecular Properties

Compound NameCID 175932180
PubChem CID175932180
Molecular FormulaC9H11NO4Si
Molecular Weight225.28 g/mol
Exact Mass225.05
IUPAC Name—
SMILESN[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.[Si]
InChIInChI=1S/C9H11NO4.Si/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h1-2,4,6,11-12H,3,10H2,(H,13,14);/t6-;/m0./s1
InChIKeyGEUMIDHDMZPTDW-RGMNGODLSA-N
XLogP-0.33
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'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 175932180?
The IUPAC name of CID 175932180 (CID 175932180) is not available.
What is the SMILES notation for CID 175932180?
The canonical SMILES for CID 175932180 is N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.[Si].
What is the InChIKey of CID 175932180?
The InChIKey is GEUMIDHDMZPTDW-RGMNGODLSA-N. The full InChI is InChI=1S/C9H11NO4.Si/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h1-2,4,6,11-12H,3,10H2,(H,13,14);/t6-;/m0./s1.
What are the key properties of CID 175932180?
CID 175932180 has a molecular weight of 225.28 g/mol, XLogP of -0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175932180 is sourced from PubChem (CID 175932180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).