EcoDrugPlus


Synonyms	Nitrite (No2-) Nitrous acid
Status
Molecule Category	UNKNOWN
UNII	T2I5UM75DN
EPA CompTox	DTXSID7064813

Synonyms

Nitrite (No2-)

Nitrous acid

Status

Molecule Category

UNKNOWN

UNII

T2I5UM75DN

EPA CompTox

DTXSID7064813


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


InChI Key	IOVCWXUNBOPUCH-UHFFFAOYSA-N
Smiles	O=NO
InChI	InChI=1S/HNO2/c2-1-3/h(H,2,3)

InChI Key

IOVCWXUNBOPUCH-UHFFFAOYSA-N

Smiles

O=NO

InChI

InChI=1S/HNO2/c2-1-3/h(H,2,3)

Property Name	Value
Molecular Formula	HNO2
Molecular Weight	47.01
AlogP	0.14
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	49.66
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	3.0

Property Name

Value

Molecular Formula

HNO2

Molecular Weight

47.01

AlogP

0.14

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

0.0

Polar Surface Area

49.66

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

3.0

Resources	Reference
ChEBI	25567
ChEMBL	CHEMBL1161681
DrugBank	DB09112
FDA SRS	T2I5UM75DN
Human Metabolome Database	HMDB0002786
KEGG	C00088
PubChem	24529
SureChEMBL	SCHEMBL1057

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

KEGG

PubChem

SureChEMBL


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).

NITROUS ACID

Structure

Physicochemical Descriptors

Cross References