EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	27J9BR16KU
EPA CompTox	DTXSID3057981

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

27J9BR16KU

EPA CompTox

DTXSID3057981


InChI Key	WXUZAHCNPWONDH-DYTRJAOYSA-N
Smiles	CNC(=O)C(=N\OC)\C1=CC=CC=C1COC1=C(C)C=CC(C)=C1
InChI	InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18+

InChI Key

WXUZAHCNPWONDH-DYTRJAOYSA-N

Smiles

CNC(=O)C(=N\OC)\C1=CC=CC=C1COC1=C(C)C=CC(C)=C1

InChI

InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18+

Property Name	Value
Molecular Formula	C19H22N2O3
Molecular Weight	326.16
AlogP	3.82
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	63.41
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H22N2O3

Molecular Weight

326.16

AlogP

3.82

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

63.41

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	149961-52-4
NORMAN SUSDAT
FDA SRS	27J9BR16KU
PubChem	10936292
ChemSpider	9111528.0

Resources

Reference

CAS NUMBER

149961-52-4

NORMAN SUSDAT

FDA SRS

27J9BR16KU

PubChem

10936292

ChemSpider

9111528.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIMOXYSTROBIN

Structure

Physicochemical Descriptors

Cross References