EcoDrugPlus


Synonyms	ABTL0812 Abtl-0812 Abtl0812
Status
Molecule Category	Free-form
UNII	0DE74TJ7EZ

Synonyms

ABTL0812

Abtl-0812

Abtl0812

Status

Molecule Category

Free-form

UNII

0DE74TJ7EZ


InChI Key	AFDSETGKYZMEEA-UHFFFAOYSA-N
Smiles	CCCCCC=CCC=CCCCCCCC(O)C(=O)O
InChI	InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)

InChI Key

AFDSETGKYZMEEA-UHFFFAOYSA-N

Smiles

CCCCCC=CCC=CCCCCCCC(O)C(=O)O

InChI

InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)

Property Name	Value
Molecular Formula	C18H32O3
Molecular Weight	296.45
AlogP	4.86
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	57.53
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H32O3

Molecular Weight

296.45

AlogP

4.86

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

14.0

Polar Surface Area

57.53

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL4297343
FDA SRS	0DE74TJ7EZ
PubChem	21158511

Resources

Reference

ChEMBL

CHEMBL4297343

FDA SRS

0DE74TJ7EZ

PubChem

21158511

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ABTL-0812

Structure

Physicochemical Descriptors

Cross References