EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SD6J9LX2XK
EPA CompTox	DTXSID40190136

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SD6J9LX2XK

EPA CompTox

DTXSID40190136


InChI Key	KNRCBASNXNXUQQ-UHFFFAOYSA-N
Smiles	OCCCCCCCCCCC(=O)[O-]
InChI	InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)

InChI Key

KNRCBASNXNXUQQ-UHFFFAOYSA-N

Smiles

OCCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)

Property Name	Value
Molecular Formula	C11H22O3
Molecular Weight	202.16
AlogP	2.57
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	57.53
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H22O3

Molecular Weight

202.16

AlogP

2.57

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

57.53

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	3669-80-5
NORMAN SUSDAT
FDA SRS	SD6J9LX2XK
PubChem	77237
ChemSpider	69664.0

Resources

Reference

CAS NUMBER

3669-80-5

NORMAN SUSDAT

FDA SRS

SD6J9LX2XK

PubChem

77237

ChemSpider

69664.0

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

11-HYDROXYUNDECANOIC ACID

Structure

Physicochemical Descriptors

Cross References