EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ETU94V283M
EPA CompTox	DTXSID30152521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ETU94V283M

EPA CompTox

DTXSID30152521


InChI Key	ZFLFWZRPMDXJCW-UHFFFAOYSA-N
Smiles	Cc1cc2cc(C)ccc2[nH]1
InChI	InChI=1S/C10H11N/c1-7-3-4-10-9(5-7)6-8(2)11-10/h3-6,11H,1-2H3

InChI Key

ZFLFWZRPMDXJCW-UHFFFAOYSA-N

Smiles

Cc1cc2cc(C)ccc2[nH]1

InChI

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

Property Name	Value
Molecular Formula	C10H11N1
Molecular Weight	145.09
AlogP	2.78
Hydrogen Bond Donor	1.0
Polar Surface Area	15.79
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H11N1

Molecular Weight

145.09

AlogP

2.78

Hydrogen Bond Donor

1.0

Polar Surface Area

15.79

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	1196-79-8
NORMAN SUSDAT
FDA SRS	ETU94V283M
PubChem	70965
ChemSpider	64126.0

Resources

Reference

CAS NUMBER

1196-79-8

NORMAN SUSDAT

FDA SRS

ETU94V283M

PubChem

70965

ChemSpider

64126.0

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...

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Last update: Monday, 3 November 2025

2,5-DIMETHYL-1H-INDOLE

Structure

Physicochemical Descriptors

Cross References