CID 173156131

C12H10N2O4Se — CID 173156131

IUPAC—
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.[Se]
InChIInChI=1S/2C6H5NO2.Se/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);
InChIKeyJMPSGGQIFCTJFP-UHFFFAOYSA-N
MW325.18 g/mol
LogP1.18
Rot. Bonds2

About CID 173156131

CID 173156131 (PubChem CID 173156131) has the molecular formula C12H10N2O4Se and a molecular weight of 325.18 g/mol.

Molecular Properties

Compound NameCID 173156131
PubChem CID173156131
Molecular FormulaC12H10N2O4Se
Molecular Weight325.18 g/mol
Exact Mass325.98
IUPAC Name—
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.[Se]
InChIInChI=1S/2C6H5NO2.Se/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);
InChIKeyJMPSGGQIFCTJFP-UHFFFAOYSA-N
XLogP1.18
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173156131?
The IUPAC name of CID 173156131 (CID 173156131) is not available.
What is the SMILES notation for CID 173156131?
The canonical SMILES for CID 173156131 is O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Se].
What is the InChIKey of CID 173156131?
The InChIKey is JMPSGGQIFCTJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5NO2.Se/c2*8-6(9)5-3-1-2-4-7-5;/h2*1-4H,(H,8,9);.
What are the key properties of CID 173156131?
CID 173156131 has a molecular weight of 325.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173156131 is sourced from PubChem (CID 173156131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).