EcoDrugPlus


Synonyms	2-octyl cyanoacrylate Dermabond
Status
Molecule Category	Free-form
UNII	L23GHX71SK
EPA CompTox	DTXSID30888954


InChI Key	CQVWXNBVRLKXPE-UHFFFAOYSA-N
Smiles	C=C(C#N)C(=O)OC(C)CCCCCC
InChI	InChI=1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3

Property Name	Value
Molecular Formula	C12H19NO2
Molecular Weight	209.29
AlogP	2.97
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	50.09
Heavy Atoms	15.0

Resources	Reference
ChEMBL	CHEMBL4297544
DrugBank	DB12040
FDA SRS	L23GHX71SK
PubChem	9815689
SureChEMBL	SCHEMBL24588

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

2-OCTYL CYANOACRYLATE

Structure

Physicochemical Descriptors

Related Entries

Cross References