EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SUH3LR2K9D
EPA CompTox	DTXSID90198521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SUH3LR2K9D

EPA CompTox

DTXSID90198521


InChI Key	ZDHCZVWCTKTBRY-UHFFFAOYSA-N
Smiles	C(CCCCCC(=O)O)CCCCCO
InChI	InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)

InChI Key

ZDHCZVWCTKTBRY-UHFFFAOYSA-N

Smiles

C(CCCCCC(=O)O)CCCCCO

InChI

InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)

Property Name	Value
Molecular Formula	C12H24O3
Molecular Weight	216.17
AlogP	2.96
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	57.53
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H24O3

Molecular Weight

216.17

AlogP

2.96

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

57.53

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	505-95-3
NORMAN SUSDAT
FDA SRS	SUH3LR2K9D
PubChem	79034
ChemSpider	71366.0

Resources

Reference

CAS NUMBER

505-95-3

NORMAN SUSDAT

FDA SRS

SUH3LR2K9D

PubChem

79034

ChemSpider

71366.0

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

12-HYDROXYDODECANOIC ACID

Structure

Physicochemical Descriptors

Cross References