EcoDrugPlus


Synonyms	Chloral Hydrate Chloral hydrate Chlorali hydras Chloralum Cloral hydrate NSC-3210 Noctec Sk-chloral hydrate
Status
Molecule Category	Free-form
ATC	N05CC01
UNII	418M5916WG
EPA CompTox	DTXSID7020261

Synonyms

Chloral Hydrate

Chloral hydrate

Chlorali hydras

Chloralum

Cloral hydrate

NSC-3210

Noctec

Sk-chloral hydrate

Status

Molecule Category

Free-form

ATC

N05CC01

UNII

418M5916WG

EPA CompTox

DTXSID7020261


InChI Key	RNFNDJAIBTYOQL-UHFFFAOYSA-N
Smiles	OC(O)C(Cl)(Cl)Cl
InChI	InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

InChI Key

RNFNDJAIBTYOQL-UHFFFAOYSA-N

Smiles

OC(O)C(Cl)(Cl)Cl

InChI

InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

Property Name	Value
Molecular Formula	C2H3Cl3O2
Molecular Weight	165.4
AlogP	0.67
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C2H3Cl3O2

Molecular Weight

165.4

AlogP

0.67

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
ChEBI	28142
ChEMBL	CHEMBL455917
DrugBank	DB01563
DrugCentral	586
FDA SRS	418M5916WG
Human Metabolome Database	HMDB0060451
KEGG	C06899
PharmGKB	PA448925
PubChem	2707
SureChEMBL	SCHEMBL34327
ZINC	ZINC000003872049

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

KEGG

PharmGKB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

CHLORAL HYDRATE

Structure

Physicochemical Descriptors

Cross References