EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90377692

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90377692


InChI Key	QRAWNNQNLQPNIZ-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)F)NC=C2CCN
InChI	InChI=1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2

InChI Key

QRAWNNQNLQPNIZ-UHFFFAOYSA-N

Smiles

C1=CC2=C(C(=C1)F)NC=C2CCN

InChI

InChI=1S/C10H11FN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4-5,12H2

Property Name	Value
Molecular Formula	C10H11F1N2
Molecular Weight	178.09
AlogP	1.81
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	41.81
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H11F1N2

Molecular Weight

178.09

AlogP

1.81

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

41.81

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	191927-74-9
NORMAN SUSDAT
PubChem	2769362
ChemSpider	2049887.0

Resources

Reference

CAS NUMBER

191927-74-9

NORMAN SUSDAT

PubChem

2769362

ChemSpider

2049887.0

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, 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

7-FLUOROTRYPTAMINE

Structure

Physicochemical Descriptors

Cross References