EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S21X4T3N1G
EPA CompTox	DTXSID6061317

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S21X4T3N1G

EPA CompTox

DTXSID6061317


InChI Key	SBUYFICWQNHBCM-UHFFFAOYSA-N
Smiles	CCc1ccc(C)c(C)c1
InChI	InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3

InChI Key

SBUYFICWQNHBCM-UHFFFAOYSA-N

Smiles

CCc1ccc(C)c(C)c1

InChI

InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3

Property Name	Value
Molecular Formula	C10H14
Molecular Weight	134.11
AlogP	2.87
Number of Rotational Bond	1.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C10H14

Molecular Weight

134.11

AlogP

2.87

Number of Rotational Bond

1.0

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	934-80-5
NORMAN SUSDAT
FDA SRS	S21X4T3N1G
PubChem	13629
ChemSpider	13040.0

Resources

Reference

CAS NUMBER

934-80-5

NORMAN SUSDAT

FDA SRS

S21X4T3N1G

PubChem

13629

ChemSpider

13040.0

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...

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Last update: Monday, 3 November 2025

1,2-DIMETHYL-4-ETHYLBENZENE

Structure

Physicochemical Descriptors

Cross References