EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LWK8Z87M8H
EPA CompTox	DTXSID30172880

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LWK8Z87M8H

EPA CompTox

DTXSID30172880


InChI Key	YSOBXTJUYFKXDF-UHFFFAOYSA-N
Smiles	Cc1cccc2c1[nH]c1c2CCCC1
InChI	InChI=1S/C13H15N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h4-5,7,14H,2-3,6,8H2,1H3

InChI Key

YSOBXTJUYFKXDF-UHFFFAOYSA-N

Smiles

Cc1cccc2c1[nH]c1c2CCCC1

InChI

InChI=1S/C13H15N/c1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h4-5,7,14H,2-3,6,8H2,1H3

Property Name	Value
Molecular Formula	C13H15N1
Molecular Weight	185.12
AlogP	3.36
Hydrogen Bond Donor	1.0
Polar Surface Area	15.79
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H15N1

Molecular Weight

185.12

AlogP

3.36

Hydrogen Bond Donor

1.0

Polar Surface Area

15.79

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	19283-51-3
NORMAN SUSDAT
FDA SRS	LWK8Z87M8H
PubChem	3015052
ChemSpider	2283275.0

Resources

Reference

CAS NUMBER

19283-51-3

NORMAN SUSDAT

FDA SRS

LWK8Z87M8H

PubChem

3015052

ChemSpider

2283275.0

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

2,3,4,9-TETRAHYDRO-8-METHYL-1H-CARBAZOLE

Structure

Physicochemical Descriptors

Cross References