EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	Q90Y55711G
EPA CompTox	DTXSID1075018

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

Q90Y55711G

EPA CompTox

DTXSID1075018


InChI Key	NUKJYCXSQCTWBK-UHFFFAOYSA-L
Smiles	[Zn++].CC(C)CCCCCCC([O-])=O.CC(C)CCCCCCC([O-])=O
InChI	InChI=1S/2C10H20O2.Zn/c21-9(2)7-5-3-4-6-8-10(11)12;/h29H,3-8H2,1-2H3,(H,11,12);/q;;+2/p-2

InChI Key

NUKJYCXSQCTWBK-UHFFFAOYSA-L

Smiles

[Zn++].CC(C)CCCCCCC([O-])=O.CC(C)CCCCCCC([O-])=O

InChI

InChI=1S/2C10H20O2.Zn/c2*1-9(2)7-5-3-4-6-8-10(11)12;/h2*9H,3-8H2,1-2H3,(H,11,12);/q;;+2/p-2

Property Name	Value
Molecular Formula	C20H38O4Zn
Molecular Weight	406.21
AlogP	3.46
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	14.0
Polar Surface Area	80.26
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H38O4Zn

Molecular Weight

406.21

AlogP

3.46

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

14.0

Polar Surface Area

80.26

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	30304-30-4
NORMAN SUSDAT
FDA SRS	Q90Y55711G
PubChem	158429

Resources

Reference

CAS NUMBER

30304-30-4

NORMAN SUSDAT

FDA SRS

Q90Y55711G

PubChem

158429

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

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Structure

Physicochemical Descriptors

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