EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Free-form
UNII	36OPE0O92Z
EPA CompTox	DTXSID1058715

Keyword(s):

Human Neurotoxin

Molecule Category

Free-form

UNII

36OPE0O92Z

EPA CompTox

DTXSID1058715


InChI Key	GSDSWSVVBLHKDQ-SNVBAGLBSA-N
Smiles	C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O
InChI	InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1

InChI Key

GSDSWSVVBLHKDQ-SNVBAGLBSA-N

Smiles

C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O

InChI

InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m1/s1

Property Name	Value
Molecular Formula	C18H20FN3O4
Molecular Weight	361.14
AlogP	1.54
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	75.01
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H20FN3O4

Molecular Weight

361.14

AlogP

1.54

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

75.01

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	100986-86-5
NORMAN SUSDAT
FDA SRS	36OPE0O92Z

Resources

Reference

CAS NUMBER

100986-86-5

NORMAN SUSDAT

FDA SRS

36OPE0O92Z

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

D-LEVOFLOXACIN

Structure

Physicochemical Descriptors

Cross References