EcoDrugPlus


Keyword(s):	Natural Toxins ; Drinking Water Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID90228251

Keyword(s):

Natural Toxins ; Drinking Water Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID90228251


InChI Key	HUQKUJNSVHEHIH-UHFFFAOYSA-N
Smiles	OC1=CC(O)=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1
InChI	InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H

InChI Key

HUQKUJNSVHEHIH-UHFFFAOYSA-N

Smiles

OC1=CC(O)=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1

InChI

InChI=1S/C15H10O4/c16-10-6-12(17)15-11(9-4-2-1-3-5-9)8-14(18)19-13(15)7-10/h1-8,16-17H

Property Name	Value
Molecular Formula	C15H10O4
Molecular Weight	254.06
AlogP	2.87
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	70.67
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H10O4

Molecular Weight

254.06

AlogP

2.87

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

70.67

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	7758-73-8
NORMAN SUSDAT
PubChem	5398649
ChemSpider	4541433.0

Resources

Reference

CAS NUMBER

7758-73-8

NORMAN SUSDAT

PubChem

5398649

ChemSpider

4541433.0

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

5,7-DIHYDROXY-4-PHENYLCOUMARIN

Structure

Physicochemical Descriptors

Cross References