EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8QA8709E9J
EPA CompTox	DTXSID10864736

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8QA8709E9J

EPA CompTox

DTXSID10864736


InChI Key	FXFANIORDKRCCA-UHFFFAOYSA-N
Smiles	C1CC(=O)NC1C2=CN=CC=C2
InChI	InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)/t8-/m0/s1

InChI Key

FXFANIORDKRCCA-UHFFFAOYSA-N

Smiles

C1CC(=O)NC1C2=CN=CC=C2

InChI

InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)/t8-/m0/s1

Property Name	Value
Molecular Formula	C9H10N2O
Molecular Weight	162.08
AlogP	1.87
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	45.48
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H10N2O

Molecular Weight

162.08

AlogP

1.87

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

45.48

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	17708-87-1
NORMAN SUSDAT
FDA SRS	8QA8709E9J
PubChem	413

Resources

Reference

CAS NUMBER

17708-87-1

NORMAN SUSDAT

FDA SRS

8QA8709E9J

PubChem

413

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

NORCOTININE

Structure

Physicochemical Descriptors

Cross References