EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ILO2Q7E61B

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ILO2Q7E61B


InChI Key	YRKSLYAWOBZISP-UHFFFAOYSA-N
Smiles	c1(c2c(cccc2)ccc1)[C@@H](CCCCCCCCCCCCCC)C
InChI	InChI=1S/C26H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23(2)25-22-17-20-24-19-15-16-21-26(24)25/h15-17,19-23H,3-14,18H2,1-2H3/t23-/m1/s1

InChI Key

YRKSLYAWOBZISP-UHFFFAOYSA-N

Smiles

c1(c2c(cccc2)ccc1)[C@@H](CCCCCCCCCCCCCC)C

InChI

InChI=1S/C26H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-23(2)25-22-17-20-24-19-15-16-21-26(24)25/h15-17,19-23H,3-14,18H2,1-2H3/t23-/m1/s1

Property Name	Value
Molecular Formula	C26H40
Molecular Weight	352.31
AlogP	9.03
Number of Rotational Bond	14.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C26H40

Molecular Weight

352.31

AlogP

9.03

Number of Rotational Bond

14.0

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	94247-63-9
NORMAN SUSDAT
FDA SRS	ILO2Q7E61B
PubChem	123590
ChemSpider	110184.0

Resources

Reference

CAS NUMBER

94247-63-9

NORMAN SUSDAT

FDA SRS

ILO2Q7E61B

PubChem

123590

ChemSpider

110184.0

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

SEC-HEXADECYLNAPHTHALENE

Structure

Physicochemical Descriptors

Cross References