EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80446381

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80446381


InChI Key	MTTUMRIEUVCVNO-UHFFFAOYSA-N
Smiles	O=C1CCc2c(C1)c1ccccc1[nH]2
InChI	InChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-4,13H,5-7H2

InChI Key

MTTUMRIEUVCVNO-UHFFFAOYSA-N

Smiles

O=C1CCc2c(C1)c1ccccc1[nH]2

InChI

InChI=1S/C12H11NO/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-4,13H,5-7H2

Property Name	Value
Molecular Formula	C12H11N1O1
Molecular Weight	185.08
AlogP	2.23
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	32.86
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H11N1O1

Molecular Weight

185.08

AlogP

2.23

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

32.86

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	51145-61-0
NORMAN SUSDAT
PubChem	10867037
ChemSpider	9042318.0

Resources

Reference

CAS NUMBER

51145-61-0

NORMAN SUSDAT

PubChem

10867037

ChemSpider

9042318.0

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

1,2,4,9-TETRAHYDRO-3H-CARBAZOL-3-ONE

Structure

Physicochemical Descriptors

Cross References