EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0757XV4DZR

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0757XV4DZR


InChI Key	UXTUMHQBXBTZOF-UHFFFAOYSA-N
Smiles	OC(N1CNC(C1=O)(c2ccccc2)c3ccccc3)C(Cl)(Cl)Cl
InChI	InChI=1S/C17H15Cl3N2O2/c18-17(19,20)15(24)22-11-21-16(14(22)23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,21,24H,11H2

InChI Key

UXTUMHQBXBTZOF-UHFFFAOYSA-N

Smiles

OC(N1CNC(C1=O)(c2ccccc2)c3ccccc3)C(Cl)(Cl)Cl

InChI

InChI=1S/C17H15Cl3N2O2/c18-17(19,20)15(24)22-11-21-16(14(22)23,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,21,24H,11H2

Property Name	Value
Molecular Formula	C17H15Cl3N2O2
Molecular Weight	384.02
AlogP	3.01
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	52.57
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H15Cl3N2O2

Molecular Weight

384.02

AlogP

3.01

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

52.57

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	56-28-0
NORMAN SUSDAT
FDA SRS	0757XV4DZR

Resources

Reference

CAS NUMBER

56-28-0

NORMAN SUSDAT

FDA SRS

0757XV4DZR

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

TRICLODAZOL

Structure

Physicochemical Descriptors

Cross References