EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40611492

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40611492


InChI Key	UITHTODMDGCMNZ-UHFFFAOYSA-N
Smiles	COc1ccccc1NC(=O)c1ccc(O)cc1O
InChI	InChI=1S/C14H13NO4/c1-19-13-5-3-2-4-11(13)15-14(18)10-7-6-9(16)8-12(10)17/h2-8,16-17H,1H3,(H,15,18)

InChI Key

UITHTODMDGCMNZ-UHFFFAOYSA-N

Smiles

COc1ccccc1NC(=O)c1ccc(O)cc1O

InChI

InChI=1S/C14H13NO4/c1-19-13-5-3-2-4-11(13)15-14(18)10-7-6-9(16)8-12(10)17/h2-8,16-17H,1H3,(H,15,18)

Property Name	Value
Molecular Formula	C14H13N1O4
Molecular Weight	259.08
AlogP	2.74
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	82.28
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H13N1O4

Molecular Weight

259.08

AlogP

2.74

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

82.28

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	129205-19-2
NORMAN SUSDAT
PubChem	21226360
ChemSpider	10815555.0

Resources

Reference

CAS NUMBER

129205-19-2

NORMAN SUSDAT

PubChem

21226360

ChemSpider

10815555.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,4-DIHYDROXY-N-(2-METHOXYPHENYL)BENZAMIDE

Structure

Physicochemical Descriptors

Cross References