EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AZP5HK897S
EPA CompTox	DTXSID30962728

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AZP5HK897S

EPA CompTox

DTXSID30962728


InChI Key	BDCCXYVTXRUGAN-UHFFFAOYSA-N
Smiles	FC1=CC=C2NC(C)CCC2=C1
InChI	InChI=1/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3

InChI Key

BDCCXYVTXRUGAN-UHFFFAOYSA-N

Smiles

FC1=CC=C2NC(C)CCC2=C1

InChI

InChI=1/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3

Property Name	Value
Molecular Formula	C10H12FN
Molecular Weight	165.1
AlogP	2.57
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	12.03
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H12FN

Molecular Weight

165.1

AlogP

2.57

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

12.03

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	42835-89-2
NORMAN SUSDAT
FDA SRS	AZP5HK897S
PubChem	591684

Resources

Reference

CAS NUMBER

42835-89-2

NORMAN SUSDAT

FDA SRS

AZP5HK897S

PubChem

591684

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

6-FLUORO-1,2,3,4-TETRAHYDRO-2-METHYLQUINOLINE

Structure

Physicochemical Descriptors

Cross References