EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2EWJ2V3N2K
EPA CompTox	DTXSID50913752

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2EWJ2V3N2K

EPA CompTox

DTXSID50913752


InChI Key	AODBHFIRNOOMDL-UHFFFAOYSA-N
Smiles	O=C(O)CCCCCCCC(Cl)C(Cl)CC(O)CCCCCC
InChI	InChI=1/C18H34Cl2O3/c1-2-3-4-8-11-15(21)14-17(20)16(19)12-9-6-5-7-10-13-18(22)23/h15-17,21H,2-14H2,1H3,(H,22,23)

InChI Key

AODBHFIRNOOMDL-UHFFFAOYSA-N

Smiles

O=C(O)CCCCCCCC(Cl)C(Cl)CC(O)CCCCCC

InChI

InChI=1/C18H34Cl2O3/c1-2-3-4-8-11-15(21)14-17(20)16(19)12-9-6-5-7-10-13-18(22)23/h15-17,21H,2-14H2,1H3,(H,22,23)

Property Name	Value
Molecular Formula	C18H34Cl2O3
Molecular Weight	368.19
AlogP	5.74
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	57.53
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C18H34Cl2O3

Molecular Weight

368.19

AlogP

5.74

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

57.53

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	97659-36-4
NORMAN SUSDAT
FDA SRS	2EWJ2V3N2K
PubChem	103035

Resources

Reference

CAS NUMBER

97659-36-4

NORMAN SUSDAT

FDA SRS

2EWJ2V3N2K

PubChem

103035

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

9,10-DICHLORO-12-HYDROXYOCTADECANOIC ACID

Structure

Physicochemical Descriptors

Cross References