EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40177644

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40177644


InChI Key	FQFZASRJFRAEIH-UHFFFAOYSA-N
Smiles	N#CC12CC3CC(CC(C3)C1)C2
InChI	InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-

InChI Key

FQFZASRJFRAEIH-UHFFFAOYSA-N

Smiles

N#CC12CC3CC(CC(C3)C1)C2

InChI

InChI=1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-

Property Name	Value
Molecular Formula	C11H15N1
Molecular Weight	161.12
AlogP	2.73
Hydrogen Bond Acceptor	1.0
Polar Surface Area	23.79
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H15N1

Molecular Weight

161.12

AlogP

2.73

Hydrogen Bond Acceptor

1.0

Polar Surface Area

23.79

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	23074-42-2
NORMAN SUSDAT
PubChem	90878
ChemSpider	82060.0

Resources

Reference

CAS NUMBER

23074-42-2

NORMAN SUSDAT

PubChem

90878

ChemSpider

82060.0

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

TRICYCLO(3.3.1.13,7)DECANE-1-CARBONITRILE

Structure

Physicochemical Descriptors

Cross References