CID 174311569

C8H10AsNO5Si — CID 174311569

IUPAC—
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O.[Si]
InChIInChI=1S/C8H10AsNO5.Si/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);
InChIKeyFUQVCSYJKUNAQT-UHFFFAOYSA-N
MW303.18 g/mol
LogP-1.47
Rot. Bonds2

About CID 174311569

CID 174311569 (PubChem CID 174311569) has the molecular formula C8H10AsNO5Si and a molecular weight of 303.18 g/mol.

Molecular Properties

Compound NameCID 174311569
PubChem CID174311569
Molecular FormulaC8H10AsNO5Si
Molecular Weight303.18 g/mol
Exact Mass302.95
IUPAC Name—
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O.[Si]
InChIInChI=1S/C8H10AsNO5.Si/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);
InChIKeyFUQVCSYJKUNAQT-UHFFFAOYSA-N
XLogP-1.47
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
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(3-acetamido-4-hydroxyphenyl)arsonic acid;2-aminoacetic acid
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(3-acetamido-4-hydroxyphenyl)arsonic acid;4-methylphenol
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(3-acetamido-4-hydroxyphenyl)arsonic acid;1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 174406515
(3-acetamido-4-hydroxyphenyl)arsonic acid;2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 174432735
(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol
CID 174365729
(3-acetamido-4-hydroxyphenyl)arsonic acid;2-ethoxycarbonylbutanoic acid
CID 174257876
(3-acetamido-4-hydroxyphenyl)arsonic acid;N-(2-methylbutyl)benzamide
CID 174311385
(3-acetamido-4-hydroxyphenyl)-(4-methylbenzoyl)oxyarsinic acid
CID 174956523
(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
CID 150637413
(3-acetamido-4-hydroxyphenyl)-(3-bromobenzoyl)oxyarsinic acid
CID 174793571
(3-acetamido-4-hydroxyphenyl)-(2-hydroxy-4-phenylbutanoyl)oxyarsinic acid
CID 174605336

Frequently Asked Questions

What is the IUPAC name of CID 174311569?
The IUPAC name of CID 174311569 (CID 174311569) is not available.
What is the SMILES notation for CID 174311569?
The canonical SMILES for CID 174311569 is CC(=O)Nc1cc([As](=O)(O)O)ccc1O.[Si].
What is the InChIKey of CID 174311569?
The InChIKey is FUQVCSYJKUNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.Si/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);.
What are the key properties of CID 174311569?
CID 174311569 has a molecular weight of 303.18 g/mol, XLogP of -1.47, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174311569 is sourced from PubChem (CID 174311569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).