EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40916737

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40916737


InChI Key	FDMPERQVQOQUFP-UHFFFAOYSA-N
Smiles	N=1C=CC=CC1OCCCCCCCCCCCCCCCCCC
InChI	InChI=1/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h17-18,20-21H,2-16,19,22H2,1H3

InChI Key

FDMPERQVQOQUFP-UHFFFAOYSA-N

Smiles

N=1C=CC=CC1OCCCCCCCCCCCCCCCCCC

InChI

InChI=1/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-23-20-17-18-21-24-23/h17-18,20-21H,2-16,19,22H2,1H3

Property Name	Value
Molecular Formula	C23H41NO
Molecular Weight	347.32
AlogP	7.72
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	18.0
Polar Surface Area	22.12
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C23H41NO

Molecular Weight

347.32

AlogP

7.72

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

18.0

Polar Surface Area

22.12

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	93982-59-3
NORMAN SUSDAT
PubChem	96483

Resources

Reference

CAS NUMBER

93982-59-3

NORMAN SUSDAT

PubChem

96483

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...

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Last update: Monday, 3 November 2025

2-(OCTADECYLOXY)PYRIDINE

Structure

Physicochemical Descriptors

Cross References