CID 172685187

C7H8OSe — CID 172685187

IUPAC—
SMILESCOc1ccccc1.[Se]
InChIInChI=1S/C7H8O.Se/c1-8-7-5-3-2-4-6-7;/h2-6H,1H3;
InChIKeyAYBVAZVUAOZKHF-UHFFFAOYSA-N
MW187.10 g/mol
LogP1.31
Rot. Bonds1

About CID 172685187

CID 172685187 (PubChem CID 172685187) has the molecular formula C7H8OSe and a molecular weight of 187.10 g/mol.

Molecular Properties

Compound NameCID 172685187
PubChem CID172685187
Molecular FormulaC7H8OSe
Molecular Weight187.10 g/mol
Exact Mass187.97
IUPAC Name—
SMILESCOc1ccccc1.[Se]
InChIInChI=1S/C7H8O.Se/c1-8-7-5-3-2-4-6-7;/h2-6H,1H3;
InChIKeyAYBVAZVUAOZKHF-UHFFFAOYSA-N
XLogP1.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.10
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 172685187?
The IUPAC name of CID 172685187 (CID 172685187) is not available.
What is the SMILES notation for CID 172685187?
The canonical SMILES for CID 172685187 is COc1ccccc1.[Se].
What is the InChIKey of CID 172685187?
The InChIKey is AYBVAZVUAOZKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.Se/c1-8-7-5-3-2-4-6-7;/h2-6H,1H3;.
What are the key properties of CID 172685187?
CID 172685187 has a molecular weight of 187.10 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172685187 is sourced from PubChem (CID 172685187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).