EcoDrugPlus


Synonyms	L-sulforaphane
Status
Molecule Category	Free-form
UNII	7J94TPZ10L


InChI Key	SUVMJBTUFCVSAD-JTQLQIEISA-N
Smiles	C[S@+]([O-])CCCCN=C=S
InChI	InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1

Property Name	Value
Molecular Formula	C6H11NOS2
Molecular Weight	177.29
AlogP	1.25
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	29.43
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Resources	Reference
ChEBI	47809
ChEMBL	CHEMBL1627201
FDA SRS	7J94TPZ10L
ZINC	ZINC000003875035

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

L-SULFORAPHANE

Structure

Physicochemical Descriptors

Related Entries

Cross References