CID 155557300

C3H6ClOSe — CID 155557300

IUPAC—
SMILESO[C@@H](CCl)C[Se]
InChIInChI=1S/C3H6ClOSe/c4-1-3(5)2-6/h3,5H,1-2H2/t3-/m0/s1
InChIKeyDNSCHSRAUUISEK-VKHMYHEASA-N
MW172.49 g/mol
LogP0.17
Rot. Bonds2

About CID 155557300

CID 155557300 (PubChem CID 155557300) has the molecular formula C3H6ClOSe and a molecular weight of 172.49 g/mol.

Molecular Properties

Compound NameCID 155557300
PubChem CID155557300
Molecular FormulaC3H6ClOSe
Molecular Weight172.49 g/mol
Exact Mass172.93
IUPAC Name—
SMILESO[C@@H](CCl)C[Se]
InChIInChI=1S/C3H6ClOSe/c4-1-3(5)2-6/h3,5H,1-2H2/t3-/m0/s1
InChIKeyDNSCHSRAUUISEK-VKHMYHEASA-N
XLogP0.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.49
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 155557300 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 155557300?
The IUPAC name of CID 155557300 (CID 155557300) is not available.
What is the SMILES notation for CID 155557300?
The canonical SMILES for CID 155557300 is O[C@@H](CCl)C[Se].
What is the InChIKey of CID 155557300?
The InChIKey is DNSCHSRAUUISEK-VKHMYHEASA-N. The full InChI is InChI=1S/C3H6ClOSe/c4-1-3(5)2-6/h3,5H,1-2H2/t3-/m0/s1.
What are the key properties of CID 155557300?
CID 155557300 has a molecular weight of 172.49 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155557300 is sourced from PubChem (CID 155557300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).