EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FG8US6W9BB
EPA CompTox	DTXSID80884229

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FG8US6W9BB

EPA CompTox

DTXSID80884229


InChI Key	JSCUZAYKVZXKQE-JXMROGBWSA-N
Smiles	BrCC=C(C)CCC=C(C)C
InChI	InChI=1/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3

InChI Key

JSCUZAYKVZXKQE-JXMROGBWSA-N

Smiles

BrCC=C(C)CCC=C(C)C

InChI

InChI=1/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3

Property Name	Value
Molecular Formula	C10H17Br
Molecular Weight	216.05
AlogP	4.07
Number of Rotational Bond	4.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H17Br

Molecular Weight

216.05

AlogP

4.07

Number of Rotational Bond

4.0

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	6138-90-5
NORMAN SUSDAT
FDA SRS	FG8US6W9BB
PubChem	5365867

Resources

Reference

CAS NUMBER

6138-90-5

NORMAN SUSDAT

FDA SRS

FG8US6W9BB

PubChem

5365867

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

(E)-1-BROMO-3,7-DIMETHYLOCTA-2,6-DIENE

Structure

Physicochemical Descriptors

Cross References