EcoDrugPlus


Synonyms	Cxa-10 E-10-no2-18:1 Oa-no2
Status
Molecule Category	Free-form
UNII	1N19AGY57Y

Synonyms

Cxa-10

E-10-no2-18:1

Oa-no2

Status

Molecule Category

Free-form

UNII

1N19AGY57Y


InChI Key	WRADPCFZZWXOTI-BMRADRMJSA-N
Smiles	CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+

InChI Key

WRADPCFZZWXOTI-BMRADRMJSA-N

Smiles

CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+

Property Name	Value
Molecular Formula	C18H33NO4
Molecular Weight	327.46
AlogP	5.71
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	80.44
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C18H33NO4

Molecular Weight

327.46

AlogP

5.71

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

80.44

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

23.0

Resources	Reference
ChEBI	86285
ChEMBL	CHEMBL561371
DrugBank	DB15026
FDA SRS	1N19AGY57Y
Human Metabolome Database	HMDB0062737
PubChem	24836820
SureChEMBL	SCHEMBL1018141
ZINC	ZINC000040331256

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

PubChem

SureChEMBL

ZINC

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

CXA-10

Structure

Physicochemical Descriptors

Cross References