EcoDrugPlus


Synonyms	Enisamium cation Enisamium ion
Status
Molecule Category	Free-form
UNII	99SS65Q7OY
EPA CompTox	DTXSID60151421

Synonyms

Enisamium cation

Enisamium ion

Status

Molecule Category

Free-form

UNII

99SS65Q7OY

EPA CompTox

DTXSID60151421


InChI Key	QOEJDHLJOKRPJG-UHFFFAOYSA-O
Smiles	C[n+]1ccc(C(=O)NCc2ccccc2)cc1
InChI	InChI=1S/C14H14N2O/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/p+1

InChI Key

QOEJDHLJOKRPJG-UHFFFAOYSA-O

Smiles

C[n+]1ccc(C(=O)NCc2ccccc2)cc1

InChI

InChI=1S/C14H14N2O/c1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/p+1

Property Name	Value
Molecular Formula	C14H15N2O+
Molecular Weight	227.29
AlogP	1.44
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	32.98
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H15N2O+

Molecular Weight

227.29

AlogP

1.44

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

32.98

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

17.0

Resources	Reference
ChEMBL	CHEMBL1740071
FDA SRS	99SS65Q7OY
SureChEMBL	SCHEMBL12069530
ZINC	ZINC000002678883

Resources

Reference

ChEMBL

FDA SRS

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ENISAMIUM

Structure

Physicochemical Descriptors

Cross References