EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	K40E7MO61Q

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

K40E7MO61Q


InChI Key	ONOFKJOCWGUUAT-UHFFFAOYSA-N
Smiles	CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)CCC(O)=O
InChI	InChI=1S/C20H22FN3O6/c1-2-22-11-13(20(29)30)19(28)12-9-14(21)16(10-15(12)22)23-5-7-24(8-6-23)17(25)3-4-18(26)27/h9-11H,2-8H2,1H3,(H,26,27)(H,29,30)

InChI Key

ONOFKJOCWGUUAT-UHFFFAOYSA-N

Smiles

CCN1C=C(C(O)=O)C(=O)c2cc(F)c(cc12)N3CCN(CC3)C(=O)CCC(O)=O

InChI

InChI=1S/C20H22FN3O6/c1-2-22-11-13(20(29)30)19(28)12-9-14(21)16(10-15(12)22)23-5-7-24(8-6-23)17(25)3-4-18(26)27/h9-11H,2-8H2,1H3,(H,26,27)(H,29,30)

Property Name	Value
Molecular Formula	C20H22F1N3O6
Molecular Weight	419.15
AlogP	1.37
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	120.15
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H22F1N3O6

Molecular Weight

419.15

AlogP

1.37

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

120.15

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	100587-52-8
NORMAN SUSDAT
FDA SRS	K40E7MO61Q

Resources

Reference

CAS NUMBER

100587-52-8

NORMAN SUSDAT

FDA SRS

K40E7MO61Q

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

NORFLOXACIN SUCCINIL

Structure

Physicochemical Descriptors

Cross References