EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	1H9D0JL57K
EPA CompTox	DTXSID7069100

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

1H9D0JL57K

EPA CompTox

DTXSID7069100


InChI Key	DKTSRTYLZGWAIT-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=CC=C1
InChI	InChI=1S/C28H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-20-24-27-22-18-19-25-28(26)27/h18-20,22-25H,2-17,21H2,1H3

InChI Key

DKTSRTYLZGWAIT-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCC1=C2C=CC=CC2=CC=C1

InChI

InChI=1S/C28H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-20-24-27-22-18-19-25-28(26)27/h18-20,22-25H,2-17,21H2,1H3

Property Name	Value
Molecular Formula	C28H44
Molecular Weight	380.34
AlogP	9.64
Number of Rotational Bond	17.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C28H44

Molecular Weight

380.34

AlogP

9.64

Number of Rotational Bond

17.0

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	56388-48-8
NORMAN SUSDAT
FDA SRS	1H9D0JL57K
PubChem	91832

Resources

Reference

CAS NUMBER

56388-48-8

NORMAN SUSDAT

FDA SRS

1H9D0JL57K

PubChem

91832

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, OCTADECYL-

Structure

Physicochemical Descriptors

Cross References