CID 54377874

C10H8NO3Si — CID 54377874

IUPAC—
SMILESO=C(O)c1cccc2[nH]c(CO[Si])cc12
InChIInChI=1S/C10H8NO3Si/c12-10(13)7-2-1-3-9-8(7)4-6(11-9)5-14-15/h1-4,11H,5H2,(H,12,13)
InChIKeyJNDZQVVEKHZQSB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.47
Rot. Bonds3

About CID 54377874

CID 54377874 (PubChem CID 54377874) has the molecular formula C10H8NO3Si and a molecular weight of 218.26 g/mol.

Molecular Properties

Compound NameCID 54377874
PubChem CID54377874
Molecular FormulaC10H8NO3Si
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name—
SMILESO=C(O)c1cccc2[nH]c(CO[Si])cc12
InChIInChI=1S/C10H8NO3Si/c12-10(13)7-2-1-3-9-8(7)4-6(11-9)5-14-15/h1-4,11H,5H2,(H,12,13)
InChIKeyJNDZQVVEKHZQSB-UHFFFAOYSA-N
XLogP1.47
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173534
2-[(3-fluorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173543
2-(4-sulfanyl-1H-indol-2-yl)acetic acid
CID 70452215
2-oxo-1H-quinazoline-5-carboxylic acid
CID 175870043
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
2-(4-methylsulfonyl-1H-indol-2-yl)acetic acid
CID 83919857
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
3-ethyl-2-sulfooxybenzoic acid
CID 175259291
2-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxylic acid
CID 133054559
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of CID 54377874?
The IUPAC name of CID 54377874 (CID 54377874) is not available.
What is the SMILES notation for CID 54377874?
The canonical SMILES for CID 54377874 is O=C(O)c1cccc2[nH]c(CO[Si])cc12.
What is the InChIKey of CID 54377874?
The InChIKey is JNDZQVVEKHZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8NO3Si/c12-10(13)7-2-1-3-9-8(7)4-6(11-9)5-14-15/h1-4,11H,5H2,(H,12,13).
What are the key properties of CID 54377874?
CID 54377874 has a molecular weight of 218.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54377874 is sourced from PubChem (CID 54377874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).