molecular chlorine;trihydrate

H6Cl2O3 — CID 140992675

IUPACmolecular chlorine;trihydrate
SMILESClCl.O.O.O
InChIInChI=1S/Cl2.3H2O/c1-2;;;/h;3*1H2
InChIKeyLAPNQLYQORQTBL-UHFFFAOYSA-N
MW124.95 g/mol
LogP-1.10
Rot. Bonds

About molecular chlorine;trihydrate

molecular chlorine;trihydrate (PubChem CID 140992675) has the molecular formula H6Cl2O3 and a molecular weight of 124.95 g/mol. Its IUPAC name is molecular chlorine;trihydrate.

Molecular Properties

Compound Namemolecular chlorine;trihydrate
PubChem CID140992675
Molecular FormulaH6Cl2O3
Molecular Weight124.95 g/mol
Exact Mass123.97
IUPAC Namemolecular chlorine;trihydrate
SMILESClCl.O.O.O
InChIInChI=1S/Cl2.3H2O/c1-2;;;/h;3*1H2
InChIKeyLAPNQLYQORQTBL-UHFFFAOYSA-N
XLogP-1.10
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.95
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze molecular chlorine;trihydrate with MolForge

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

Launch Full Analysis

Related Compounds

CID 172726649
CID 172726649
CID 175010158
CID 175010158
methane;molecular chlorine
CID 159642020
cobalt;molecular chlorine
CID 175719945
CID 160861299
CID 160861299
CID 19931574
CID 19931574
beryllium;dibromide;dihydrate
CID 175768022
diberyllium;hydride;hydrate
CID 173254249
CID 174367071
CID 174367071
CID 158920059
CID 158920059
CID 19793955
CID 19793955
CID 174999207
CID 174999207

Frequently Asked Questions

What is the IUPAC name of molecular chlorine;trihydrate?
The IUPAC name of molecular chlorine;trihydrate (CID 140992675) is molecular chlorine;trihydrate.
What is the SMILES notation for molecular chlorine;trihydrate?
The canonical SMILES for molecular chlorine;trihydrate is ClCl.O.O.O.
What is the InChIKey of molecular chlorine;trihydrate?
The InChIKey is LAPNQLYQORQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2.3H2O/c1-2;;;/h;3*1H2.
What are the key properties of molecular chlorine;trihydrate?
molecular chlorine;trihydrate has a molecular weight of 124.95 g/mol, XLogP of -1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular chlorine;trihydrate is sourced from PubChem (CID 140992675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).