EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q7YVG56Q18
EPA CompTox	DTXSID1051727

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q7YVG56Q18

EPA CompTox

DTXSID1051727


InChI Key	HSYLKWSCFRLSKB-UHFFFAOYSA-N
Smiles	Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O
InChI	InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2

InChI Key

HSYLKWSCFRLSKB-UHFFFAOYSA-N

Smiles

Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O

InChI

InChI=1S/C14H10N2O4/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16)10(12)14(11)20/h1-4,17-18H,15-16H2

Property Name	Value
Molecular Formula	C14H10N2O4
Molecular Weight	270.06
AlogP	1.04
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Polar Surface Area	126.64
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H10N2O4

Molecular Weight

270.06

AlogP

1.04

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Polar Surface Area

126.64

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	145-49-3
NORMAN SUSDAT
FDA SRS	Q7YVG56Q18
PubChem	67351
ChemSpider	60682.0

Resources

Reference

CAS NUMBER

145-49-3

NORMAN SUSDAT

FDA SRS

Q7YVG56Q18

PubChem

67351

ChemSpider

60682.0

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

1,5-DIAMINO-4,8-DIHYDROXYANTHRAQUINONE

Structure

Physicochemical Descriptors

Cross References