EcoDrugPlus


Keyword(s):	Industrial Chemicals
Molecule Category	Salt-form
UNII	G76Z4EW52D
EPA CompTox	DTXSID20233297

Keyword(s):

Industrial Chemicals

Molecule Category

Salt-form

UNII

G76Z4EW52D

EPA CompTox

DTXSID20233297


InChI Key	FVDLPGJOSQQTMY-UHFFFAOYSA-L
Smiles	[Na+].[Na+].[O-]C1=CC=C(C=C1)C(C1=CC=C([O-])C=C1)=C1C=CC(=O)C=C1
InChI	InChI=1S/C19H14O3.2Na/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-12,20-21H;;/q;2*+1/p-2

InChI Key

FVDLPGJOSQQTMY-UHFFFAOYSA-L

Smiles

[Na+].[Na+].[O-]C1=CC=C(C=C1)C(C1=CC=C([O-])C=C1)=C1C=CC(=O)C=C1

InChI

InChI=1S/C19H14O3.2Na/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;;/h1-12,20-21H;;/q;2*+1/p-2

Property Name	Value
Molecular Formula	C19H12Na2O3
Molecular Weight	334.06
AlogP	-3.66
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	63.19
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H12Na2O3

Molecular Weight

334.06

AlogP

-3.66

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

63.19

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	84332-99-0
NORMAN SUSDAT
FDA SRS	G76Z4EW52D
PubChem	44148044

Resources

Reference

CAS NUMBER

84332-99-0

NORMAN SUSDAT

FDA SRS

G76Z4EW52D

PubChem

44148044

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

4-(BIS(P-HYDROXYPHENYL)METHYLENE)CYCLOHEXA-2,5-DIEN-1-ONE, DISODIUM SALT

Structure

Physicochemical Descriptors

Cross References