EcoDrugPlus


Synonyms	Aron alpha a Cyanoacrylate Mecrilate Mecrylate Methyl cyanoacrylate
Status
Molecule Category	UNKNOWN
UNII	WN7979561R
EPA CompTox	DTXSID4025589

Synonyms

Aron alpha a

Cyanoacrylate

Mecrilate

Mecrylate

Methyl cyanoacrylate

Status

Molecule Category

UNKNOWN

UNII

WN7979561R

EPA CompTox

DTXSID4025589


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


InChI Key	MWCLLHOVUTZFKS-UHFFFAOYSA-N
Smiles	C=C(C#N)C(=O)OC
InChI	InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3

InChI Key

MWCLLHOVUTZFKS-UHFFFAOYSA-N

Smiles

C=C(C#N)C(=O)OC

InChI

InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3

Property Name	Value
Molecular Formula	C5H5NO2
Molecular Weight	111.1
AlogP	0.24
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	1.0
Polar Surface Area	50.09
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C5H5NO2

Molecular Weight

111.1

AlogP

0.24

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

1.0

Polar Surface Area

50.09

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

8.0

Resources	Reference
ChEMBL	CHEMBL2106424
FDA SRS	WN7979561R
PubChem	8711
SureChEMBL	SCHEMBL15701
ZINC	ZINC000000001657

Resources

Reference

ChEMBL

FDA SRS

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).

MECRYLATE

Structure

Physicochemical Descriptors

Cross References