EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F30N4O6XVV
EPA CompTox	DTXSID60197783

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F30N4O6XVV

EPA CompTox

DTXSID60197783


InChI Key	DPKHZNPWBDQZCN-UHFFFAOYSA-N
Smiles	CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C
InChI	InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3

InChI Key

DPKHZNPWBDQZCN-UHFFFAOYSA-N

Smiles

CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C

InChI

InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3

Property Name	Value
Molecular Formula	C17H19N3
Molecular Weight	265.16
AlogP	3.52
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	19.37
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H19N3

Molecular Weight

265.16

AlogP

3.52

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

19.37

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	494-38-2
NORMAN SUSDAT
FDA SRS	F30N4O6XVV
PubChem	62344
ChemSpider	56136.0

Resources

Reference

CAS NUMBER

494-38-2

NORMAN SUSDAT

FDA SRS

F30N4O6XVV

PubChem

62344

ChemSpider

56136.0

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

ACRIDINE ORANGE

Structure

Physicochemical Descriptors

Cross References