EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	MZ25L5SJ6Z
EPA CompTox	DTXSID40150396

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

MZ25L5SJ6Z

EPA CompTox

DTXSID40150396


InChI Key	ASUSBMNYRHGZIG-UHFFFAOYSA-N
Smiles	CNCCc1c[nH]c2ccc(O)cc12
InChI	InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3

InChI Key

ASUSBMNYRHGZIG-UHFFFAOYSA-N

Smiles

CNCCc1c[nH]c2ccc(O)cc12

InChI

InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3

Property Name	Value
Molecular Formula	C11H14N2O1
Molecular Weight	190.11
AlogP	1.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	48.05
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H14N2O1

Molecular Weight

190.11

AlogP

1.64

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

48.05

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1134-01-6
NORMAN SUSDAT
FDA SRS	MZ25L5SJ6Z

Resources

Reference

CAS NUMBER

1134-01-6

NORMAN SUSDAT

FDA SRS

MZ25L5SJ6Z

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, 23^rd March 2026

N-METHYLSEROTONIN

Structure

Physicochemical Descriptors

Cross References