EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	CC26D50YMY
EPA CompTox	DTXSID5069099

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

CC26D50YMY

EPA CompTox

DTXSID5069099


InChI Key	IJAFYYIBMJSQLI-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCC1=C2C=CC=CC2=CC=C1
InChI	InChI=1S/C26H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-21-18-22-25-20-16-17-23-26(24)25/h16-18,20-23H,2-15,19H2,1H3

InChI Key

IJAFYYIBMJSQLI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCC1=C2C=CC=CC2=CC=C1

InChI

InChI=1S/C26H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-21-18-22-25-20-16-17-23-26(24)25/h16-18,20-23H,2-15,19H2,1H3

Property Name	Value
Molecular Formula	C26H40
Molecular Weight	352.31
AlogP	8.86
Number of Rotational Bond	15.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C26H40

Molecular Weight

352.31

AlogP

8.86

Number of Rotational Bond

15.0

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	56388-47-7
NORMAN SUSDAT
FDA SRS	CC26D50YMY
PubChem	91831

Resources

Reference

CAS NUMBER

56388-47-7

NORMAN SUSDAT

FDA SRS

CC26D50YMY

PubChem

91831

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

NAPHTHALENE, HEXADECYL-

Structure

Physicochemical Descriptors

Cross References