CID 172733378

C12H8Cl2Na — CID 172733378

IUPAC—
SMILESClc1cccc(-c2ccccc2)c1Cl.[Na]
InChIInChI=1S/C12H8Cl2.Na/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;/h1-8H;
InChIKeyICDQCQYLKCBJDT-UHFFFAOYSA-N
MW246.09 g/mol
LogP4.28
Rot. Bonds1

About CID 172733378

CID 172733378 (PubChem CID 172733378) has the molecular formula C12H8Cl2Na and a molecular weight of 246.09 g/mol.

Molecular Properties

Compound NameCID 172733378
PubChem CID172733378
Molecular FormulaC12H8Cl2Na
Molecular Weight246.09 g/mol
Exact Mass244.99
IUPAC Name—
SMILESClc1cccc(-c2ccccc2)c1Cl.[Na]
InChIInChI=1S/C12H8Cl2.Na/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;/h1-8H;
InChIKeyICDQCQYLKCBJDT-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 172733378 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 172733378?
The IUPAC name of CID 172733378 (CID 172733378) is not available.
What is the SMILES notation for CID 172733378?
The canonical SMILES for CID 172733378 is Clc1cccc(-c2ccccc2)c1Cl.[Na].
What is the InChIKey of CID 172733378?
The InChIKey is ICDQCQYLKCBJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2.Na/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9;/h1-8H;.
What are the key properties of CID 172733378?
CID 172733378 has a molecular weight of 246.09 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172733378 is sourced from PubChem (CID 172733378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).