EcoDrugPlus


Synonyms	Iodoform Iodoformum NSC-26251
Status
Molecule Category	UNKNOWN
ATC	D09AA13
UNII	KXI2J76489
EPA CompTox	DTXSID4020743

Synonyms

Iodoform

Iodoformum

NSC-26251

Status

Molecule Category

UNKNOWN

ATC

D09AA13

UNII

KXI2J76489

EPA CompTox

DTXSID4020743


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	OKJPEAGHQZHRQV-UHFFFAOYSA-N
Smiles	IC(I)I
InChI	InChI=1S/CHI3/c2-1(3)4/h1H

InChI Key

OKJPEAGHQZHRQV-UHFFFAOYSA-N

Smiles

IC(I)I

InChI

InChI=1S/CHI3/c2-1(3)4/h1H

Property Name	Value
Molecular Formula	CHI3
Molecular Weight	393.73
AlogP	2.58
Hydrogen Bond Acceptor	0.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	0.0
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	4.0

Property Name

Value

Molecular Formula

CHI3

Molecular Weight

393.73

AlogP

2.58

Hydrogen Bond Acceptor

0.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

0.0

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

4.0

Resources	Reference
ChEBI	37758
ChEMBL	CHEMBL1451116
DrugBank	DB13813
DrugCentral	4579
FDA SRS	KXI2J76489
KEGG	C13383
PubChem	6374
SureChEMBL	SCHEMBL59825
ZINC	ZINC000006827595

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

IODOFORM

Structure

Physicochemical Descriptors

Cross References