EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	G6U51T1K77
EPA CompTox	DTXSID40869517

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

G6U51T1K77

EPA CompTox

DTXSID40869517


InChI Key	BAYYCLWCHFVRLV-UHFFFAOYSA-N
Smiles	CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(CC)c3c2F)C(O)=O
InChI	InChI=1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)

InChI Key

BAYYCLWCHFVRLV-UHFFFAOYSA-N

Smiles

CCNCC1CCN(C1)c2c(F)cc3C(=O)C(=CN(CC)c3c2F)C(O)=O

InChI

InChI=1S/C19H23F2N3O3/c1-3-22-8-11-5-6-24(9-11)17-14(20)7-12-16(15(17)21)23(4-2)10-13(18(12)25)19(26)27/h7,10-11,22H,3-6,8-9H2,1-2H3,(H,26,27)

Property Name	Value
Molecular Formula	C19H23F2N3O3
Molecular Weight	379.17
AlogP	2.43
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	74.57
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C19H23F2N3O3

Molecular Weight

379.17

AlogP

2.43

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

74.57

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	110013-21-3
NORMAN SUSDAT
FDA SRS	G6U51T1K77

Resources

Reference

CAS NUMBER

110013-21-3

NORMAN SUSDAT

FDA SRS

G6U51T1K77

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

MERAFLOXACIN

Structure

Physicochemical Descriptors

Cross References