EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	SFT7XQA9AN
EPA CompTox	DTXSID40185966

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

SFT7XQA9AN

EPA CompTox

DTXSID40185966


InChI Key	YWKXUUGVLZIYEG-UHFFFAOYSA-N
Smiles	Cl.OC1=CC=C(OC)C=C1N
InChI	InChI=1/C7H9NO2.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H

InChI Key

YWKXUUGVLZIYEG-UHFFFAOYSA-N

Smiles

Cl.OC1=CC=C(OC)C=C1N

InChI

InChI=1/C7H9NO2.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4,9H,8H2,1H3;1H

Property Name	Value
Molecular Formula	C7H9NO2
Molecular Weight	175.04
AlogP	1.4
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	55.48
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H9NO2

Molecular Weight

175.04

AlogP

1.4

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

55.48

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	32190-97-9
NORMAN SUSDAT
FDA SRS	SFT7XQA9AN
PubChem	1419108

Resources

Reference

CAS NUMBER

32190-97-9

NORMAN SUSDAT

FDA SRS

SFT7XQA9AN

PubChem

1419108

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...

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Last update: Monday, 3 November 2025

2-AMINO-4-METHOXYPHENOL HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References