EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00162758

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00162758


InChI Key	JKUQXMBYLVLQLN-UHFFFAOYSA-N
Smiles	C1CCC2(CC1)c1ccccc1Nc1c2cccc1
InChI	InChI=1S/C18H19N/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11,19H,1,6-7,12-13H2

InChI Key

JKUQXMBYLVLQLN-UHFFFAOYSA-N

Smiles

C1CCC2(CC1)c1ccccc1Nc1c2cccc1

InChI

InChI=1S/C18H19N/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11,19H,1,6-7,12-13H2

Property Name	Value
Molecular Formula	C18H19N1
Molecular Weight	249.15
AlogP	4.99
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C18H19N1

Molecular Weight

249.15

AlogP

4.99

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	14458-75-4
NORMAN SUSDAT
PubChem	84457
ChemSpider	76186.0

Resources

Reference

CAS NUMBER

14458-75-4

NORMAN SUSDAT

PubChem

84457

ChemSpider

76186.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

SPIRO(ACRIDINE-9(10H),1'-CYCLOHEXANE)

Structure

Physicochemical Descriptors

Cross References