EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	NT347J42P8
EPA CompTox	DTXSID80236360

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

NT347J42P8

EPA CompTox

DTXSID80236360


InChI Key	NAPPMSNSLWACIV-UHFFFAOYSA-N
Smiles	Cn1cc(C)c2c1cccc2
InChI	InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3

InChI Key

NAPPMSNSLWACIV-UHFFFAOYSA-N

Smiles

Cn1cc(C)c2c1cccc2

InChI

InChI=1S/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3

Property Name	Value
Molecular Formula	C10H11N1
Molecular Weight	145.09
AlogP	2.49
Hydrogen Bond Acceptor	1.0
Polar Surface Area	4.93
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H11N1

Molecular Weight

145.09

AlogP

2.49

Hydrogen Bond Acceptor

1.0

Polar Surface Area

4.93

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	875-30-9
NORMAN SUSDAT
FDA SRS	NT347J42P8
PubChem	70130
ChemSpider	63318.0

Resources

Reference

CAS NUMBER

875-30-9

NORMAN SUSDAT

FDA SRS

NT347J42P8

PubChem

70130

ChemSpider

63318.0

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

1,3-DIMETHYLINDOLE

Structure

Physicochemical Descriptors

Cross References