CID 174726274

C7H6NO2Se — CID 174726274

IUPAC—
SMILESNC(=O)c1cc([Se])ccc1O
InChIInChI=1S/C7H6NO2Se/c8-7(10)5-3-4(11)1-2-6(5)9/h1-3,9H,(H2,8,10)
InChIKeyYVPCFDHPDBNMTP-UHFFFAOYSA-N
MW215.09 g/mol
LogP-0.72
Rot. Bonds1

About CID 174726274

CID 174726274 (PubChem CID 174726274) has the molecular formula C7H6NO2Se and a molecular weight of 215.09 g/mol.

Molecular Properties

Compound NameCID 174726274
PubChem CID174726274
Molecular FormulaC7H6NO2Se
Molecular Weight215.09 g/mol
Exact Mass215.96
IUPAC Name—
SMILESNC(=O)c1cc([Se])ccc1O
InChIInChI=1S/C7H6NO2Se/c8-7(10)5-3-4(11)1-2-6(5)9/h1-3,9H,(H2,8,10)
InChIKeyYVPCFDHPDBNMTP-UHFFFAOYSA-N
XLogP-0.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 5-0.72
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

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CID 171061656
5-(2-chloroacetyl)-2-hydroxybenzamide
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benzene;2-hydroxybenzamide
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CID 68597102
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CID 19317
2,3-diamino-4-hydroxybenzamide
CID 70024037
2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
5-[4-[2-[4-(3-carbamoyl-4-hydroxyphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-hydroxybenzamide
CID 87103449
2-hydroxy-5-(4-hydroxybut-1-enyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of CID 174726274?
The IUPAC name of CID 174726274 (CID 174726274) is not available.
What is the SMILES notation for CID 174726274?
The canonical SMILES for CID 174726274 is NC(=O)c1cc([Se])ccc1O.
What is the InChIKey of CID 174726274?
The InChIKey is YVPCFDHPDBNMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2Se/c8-7(10)5-3-4(11)1-2-6(5)9/h1-3,9H,(H2,8,10).
What are the key properties of CID 174726274?
CID 174726274 has a molecular weight of 215.09 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174726274 is sourced from PubChem (CID 174726274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).