CID 87274674

CH2Cl2Na — CID 87274674

IUPAC—
SMILESClCCl.[Na]
InChIInChI=1S/CH2Cl2.Na/c2-1-3;/h1H2;
InChIKeyAGANSXYIEFDATK-UHFFFAOYSA-N
MW107.92 g/mol
LogP1.04
Rot. Bonds

About CID 87274674

CID 87274674 (PubChem CID 87274674) has the molecular formula CH2Cl2Na and a molecular weight of 107.92 g/mol.

Molecular Properties

Compound NameCID 87274674
PubChem CID87274674
Molecular FormulaCH2Cl2Na
Molecular Weight107.92 g/mol
Exact Mass106.94
IUPAC Name—
SMILESClCCl.[Na]
InChIInChI=1S/CH2Cl2.Na/c2-1-3;/h1H2;
InChIKeyAGANSXYIEFDATK-UHFFFAOYSA-N
XLogP1.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.92
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 87274674 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 87274674?
The IUPAC name of CID 87274674 (CID 87274674) is not available.
What is the SMILES notation for CID 87274674?
The canonical SMILES for CID 87274674 is ClCCl.[Na].
What is the InChIKey of CID 87274674?
The InChIKey is AGANSXYIEFDATK-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2.Na/c2-1-3;/h1H2;.
What are the key properties of CID 87274674?
CID 87274674 has a molecular weight of 107.92 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87274674 is sourced from PubChem (CID 87274674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).