CID 166155160

C5H4BBrOS — CID 166155160

IUPAC—
SMILES[B]c1cc(Br)sc1OC
InChIInChI=1S/C5H4BBrOS/c1-8-5-3(6)2-4(7)9-5/h2H,1H3
InChIKeyAOJZGWQAHAVMKU-UHFFFAOYSA-N
MW202.87 g/mol
LogP1.31
Rot. Bonds1

About CID 166155160

CID 166155160 (PubChem CID 166155160) has the molecular formula C5H4BBrOS and a molecular weight of 202.87 g/mol.

Molecular Properties

Compound NameCID 166155160
PubChem CID166155160
Molecular FormulaC5H4BBrOS
Molecular Weight202.87 g/mol
Exact Mass201.93
IUPAC Name—
SMILES[B]c1cc(Br)sc1OC
InChIInChI=1S/C5H4BBrOS/c1-8-5-3(6)2-4(7)9-5/h2H,1H3
InChIKeyAOJZGWQAHAVMKU-UHFFFAOYSA-N
XLogP1.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.87
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 166155160?
The IUPAC name of CID 166155160 (CID 166155160) is not available.
What is the SMILES notation for CID 166155160?
The canonical SMILES for CID 166155160 is [B]c1cc(Br)sc1OC.
What is the InChIKey of CID 166155160?
The InChIKey is AOJZGWQAHAVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BBrOS/c1-8-5-3(6)2-4(7)9-5/h2H,1H3.
What are the key properties of CID 166155160?
CID 166155160 has a molecular weight of 202.87 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166155160 is sourced from PubChem (CID 166155160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).