EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
EPA CompTox	DTXSID501317613

Keyword(s):

Natural Toxins

Molecule Category

Free-form

EPA CompTox

DTXSID501317613


InChI Key	MDIDMOWWLBGYPG-MYJAWHEDSA-N
Smiles	CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C
InChI	InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+

InChI Key

MDIDMOWWLBGYPG-MYJAWHEDSA-N

Smiles

CC(=O)OC1C[C@H]2CC[C@@H](C1)N2C

InChI

InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+

Property Name	Value
Molecular Formula	C10H17NO2
Molecular Weight	183.13
AlogP	1.17
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	29.54
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H17NO2

Molecular Weight

183.13

AlogP

1.17

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

29.54

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	3423-27-6
NORMAN SUSDAT
PubChem	10559369
ChemSpider	23106951.0

Resources

Reference

CAS NUMBER

3423-27-6

NORMAN SUSDAT

PubChem

10559369

ChemSpider

23106951.0

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

ACETYLTROPINE

Structure

Physicochemical Descriptors

Cross References