Molecular Identity
Chloral Hydrate
2,2,2-trichloroethane-1,1-diol
PubChem CID: 2707
Chloral Hydrate can cause cancer according to California Labor Code.
2D Structure
Properties
C2H3Cl3O2
Molecular Formula
165.40
Molecular Weight
g/mol
163.9199
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
56
Complexity
SMILES
Canonical SMILES
SMILES: C(C(Cl)(Cl)Cl)(O)OIsomeric SMILES
SMILES: C(C(Cl)(Cl)Cl)(O)OSynonyms(20)
chloral hydrate302-17-02,2,2-Trichloroethane-1,1-diolTrichloroacetaldehyde hydrateNoctecTosylChloral monohydrateChloralduratChloralhydratePhaldroneNycotonEscreChloradormCohidrateFelsules
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Chloral Hydrate
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