EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C8E7ATK495
EPA CompTox	DTXSID2061723

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C8E7ATK495

EPA CompTox

DTXSID2061723


InChI Key	LSZJZNNASZFXKN-UHFFFAOYSA-N
Smiles	CC(C)n1c2ccccc2c2c1cccc2
InChI	InChI=1S/C15H15N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3

InChI Key

LSZJZNNASZFXKN-UHFFFAOYSA-N

Smiles

CC(C)n1c2ccccc2c2c1cccc2

InChI

InChI=1S/C15H15N/c1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-11H,1-2H3

Property Name	Value
Molecular Formula	C15H15N1
Molecular Weight	209.12
AlogP	4.38
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	4.93
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H15N1

Molecular Weight

209.12

AlogP

4.38

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

4.93

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	1484-09-9
NORMAN SUSDAT
FDA SRS	C8E7ATK495
PubChem	73873
ChemSpider	66507.0

Resources

Reference

CAS NUMBER

1484-09-9

NORMAN SUSDAT

FDA SRS

C8E7ATK495

PubChem

73873

ChemSpider

66507.0

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

9H-CARBAZOLE, 9-(1-METHYLETHYL)-

Structure

Physicochemical Descriptors

Cross References