EcoDrugPlus


Synonyms	Tolonium cation Tolonium ion
Status
Molecule Category	Free-form
UNII	P3Y6XJA2D1

Synonyms

Tolonium cation

Tolonium ion

Status

Molecule Category

Free-form

UNII

P3Y6XJA2D1


InChI Key	RQNADZJRELIICT-UHFFFAOYSA-N
Smiles	Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N
InChI	InChI=1S/C15H16N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8H,16H2,1-3H3/q+1

InChI Key

RQNADZJRELIICT-UHFFFAOYSA-N

Smiles

Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N

InChI

InChI=1S/C15H16N3S/c1-9-6-13-15(8-11(9)16)19-14-7-10(18(2)3)4-5-12(14)17-13/h4-8H,16H2,1-3H3/q+1

Property Name	Value
Molecular Formula	C15H16N3S+
Molecular Weight	270.38
AlogP	3.69
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	42.15
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H16N3S+

Molecular Weight

270.38

AlogP

3.69

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

42.15

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	56109-24-1
ChEBI	87648
ChEMBL	CHEMBL1622638
DrugCentral	2701
FDA SRS	P3Y6XJA2D1
PubChem	7084
SureChEMBL	SCHEMBL2626791
ZINC	ZINC000004217587

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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, 27^th July 2026

TOLONIUM

Structure

Physicochemical Descriptors

Cross References