EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GHJ553KQPS

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GHJ553KQPS


InChI Key	WUWFMDMBOJLQIV-UHFFFAOYSA-N
Smiles	c1cc(c(cc1F)F)n2cc(c(=O)c3c2nc(c(c3)F)N4CCC(C4)N)C(=O)O
InChI	InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)

InChI Key

WUWFMDMBOJLQIV-UHFFFAOYSA-N

Smiles

c1cc(c(cc1F)F)n2cc(c(=O)c3c2nc(c(c3)F)N4CCC(C4)N)C(=O)O

InChI

InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)

Property Name	Value
Molecular Formula	C19H15F3N4O3
Molecular Weight	404.11
AlogP	2.04
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	101.45
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C19H15F3N4O3

Molecular Weight

404.11

AlogP

2.04

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

101.45

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	70460-45-6
NORMAN SUSDAT
FDA SRS	GHJ553KQPS
PubChem	5517
ChemSpider	5316.0

Resources

Reference

CAS NUMBER

70460-45-6

NORMAN SUSDAT

FDA SRS

GHJ553KQPS

PubChem

5517

ChemSpider

5316.0

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

TOSUFLOXACIN

Structure

Physicochemical Descriptors

Cross References