EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID101011011

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID101011011


InChI Key	ONUFRYFLRFLSOM-UHFFFAOYSA-N
Smiles	[Pb].OC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1/C18H36O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H36O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H2/q;+4

InChI Key

ONUFRYFLRFLSOM-UHFFFAOYSA-N

Smiles

[Pb].OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1/C18H36O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H36O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H2/q;+4

Property Name	Value
Molecular Formula	C18H36O2Pb
Molecular Weight	494.26
AlogP	5.42
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	37.3
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H36O2Pb

Molecular Weight

494.26

AlogP

5.42

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

37.3

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	7428-48-0
NORMAN SUSDAT
PubChem	21664328
ChemSpider	21165360.0

Resources

Reference

CAS NUMBER

7428-48-0

NORMAN SUSDAT

PubChem

21664328

ChemSpider

21165360.0

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

OCTADECANOIC ACID, LEAD SALT (1:?)

Structure

Physicochemical Descriptors

Cross References