EcoDrugPlus


Synonyms	Exifone NSC-680919
Status
Molecule Category	Free-form
UNII	38K9TOD4EG
EPA CompTox	DTXSID9044950


InChI Key	XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Smiles	O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O
InChI	InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H

Property Name	Value
Molecular Formula	C13H10O7
Molecular Weight	278.22
AlogP	1.15
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	138.45
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Resources	Reference
ChEBI	125609
ChEMBL	CHEMBL329522
FDA SRS	38K9TOD4EG
PubChem	40399
SureChEMBL	SCHEMBL273096
ZINC	ZINC000003775294

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

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