EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3AH8OSQ79O
EPA CompTox	DTXSID10188040

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3AH8OSQ79O

EPA CompTox

DTXSID10188040


InChI Key	CIZCSUNUBQXVFP-UHFFFAOYSA-N
Smiles	FC=1C=CC=CC1C2=NCCN(C=3C=CC(Cl)=CC23)CC(F)(F)F
InChI	InChI=1/C17H13ClF4N2/c18-11-5-6-15-13(9-11)16(12-3-1-2-4-14(12)19)23-7-8-24(15)10-17(20,21)22/h1-6,9H,7-8,10H2

InChI Key

CIZCSUNUBQXVFP-UHFFFAOYSA-N

Smiles

FC=1C=CC=CC1C2=NCCN(C=3C=CC(Cl)=CC23)CC(F)(F)F

InChI

InChI=1/C17H13ClF4N2/c18-11-5-6-15-13(9-11)16(12-3-1-2-4-14(12)19)23-7-8-24(15)10-17(20,21)22/h1-6,9H,7-8,10H2

Property Name	Value
Molecular Formula	C17H13ClF4N2
Molecular Weight	356.07
AlogP	4.7
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	15.6
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C17H13ClF4N2

Molecular Weight

356.07

AlogP

4.7

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

15.6

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	34482-99-0
NORMAN SUSDAT
FDA SRS	3AH8OSQ79O
PubChem	36834

Resources

Reference

CAS NUMBER

34482-99-0

NORMAN SUSDAT

FDA SRS

3AH8OSQ79O

PubChem

36834

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

FLETAZEPAM

Structure

Physicochemical Descriptors

Cross References