EcoDrugPlus


Synonyms	Clinafarm Enilconazole Imaverol Imazalil R-23979
Molecule Category	Free-form
UNII	6K0NOF3XQ6
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Clinafarm

Enilconazole

Imaverol

Imazalil

R-23979

Molecule Category

Free-form

UNII

6K0NOF3XQ6

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	PZBPKYOVPCNPJY-UHFFFAOYSA-N
Smiles	Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
InChI	InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

InChI Key

PZBPKYOVPCNPJY-UHFFFAOYSA-N

Smiles

Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1

InChI

InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

Property Name	Value
Molecular Formula	C14H14Cl2N2O
Molecular Weight	297.18
AlogP	3.35
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	27.05
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H14Cl2N2O

Molecular Weight

297.18

AlogP

3.35

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

27.05

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

19.0

Resources	Reference
ChEMBL	CHEMBL356918
FDA SRS	6K0NOF3XQ6
PubChem	37175
SureChEMBL	SCHEMBL22498

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

ENILCONAZOLE

Structure

Physicochemical Descriptors

Cross References