EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	416P10SE9G
EPA CompTox	DTXSID1041972

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

416P10SE9G

EPA CompTox

DTXSID1041972


InChI Key	YATDSXRLIUJOQN-SVRRBLITSA-N
Smiles	CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1c(F)c(F)c(F)c(F)c1F
InChI	InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3/t6-,8+/m0/s1

InChI Key

YATDSXRLIUJOQN-SVRRBLITSA-N

Smiles

CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1c(F)c(F)c(F)c(F)c1F

InChI

InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3/t6-,8+/m0/s1

Property Name	Value
Molecular Formula	C15H11Cl2F5O2
Molecular Weight	388.01
AlogP	5.02
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	26.3
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C15H11Cl2F5O2

Molecular Weight

388.01

AlogP

5.02

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

26.3

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	75867-00-4
NORMAN SUSDAT
FDA SRS	416P10SE9G
PubChem	6455515
ChemSpider	19965913.0

Resources

Reference

CAS NUMBER

75867-00-4

NORMAN SUSDAT

FDA SRS

416P10SE9G

PubChem

6455515

ChemSpider

19965913.0

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

FENFLUTHRIN

Structure

Physicochemical Descriptors

Cross References