EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WJA5SB9MSK
EPA CompTox	DTXSID2059691

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WJA5SB9MSK

EPA CompTox

DTXSID2059691


InChI Key	DVLXEVMGHXWBOZ-UHFFFAOYSA-N
Smiles	O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1
InChI	InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2

InChI Key

DVLXEVMGHXWBOZ-UHFFFAOYSA-N

Smiles

O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1

InChI

InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2

Property Name	Value
Molecular Formula	C24H30O4
Molecular Weight	382.21
AlogP	5.59
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	52.6
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H30O4

Molecular Weight

382.21

AlogP

5.59

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

13.0

Polar Surface Area

52.6

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	140-24-9
NORMAN SUSDAT
FDA SRS	WJA5SB9MSK
PubChem	8790
ChemSpider	8460.0

Resources

Reference

CAS NUMBER

140-24-9

NORMAN SUSDAT

FDA SRS

WJA5SB9MSK

PubChem

8790

ChemSpider

8460.0

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, 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

DECANEDIOIC ACID, BIS(PHENYLMETHYL) ESTER

Structure

Physicochemical Descriptors

Cross References