EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	37KHA4S4F0
EPA CompTox	DTXSID8061470

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

37KHA4S4F0

EPA CompTox

DTXSID8061470


InChI Key	JXFVMNFKABWTHD-UHFFFAOYSA-N
Smiles	CCCc1ccc(C)cc1
InChI	InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3

InChI Key

JXFVMNFKABWTHD-UHFFFAOYSA-N

Smiles

CCCc1ccc(C)cc1

InChI

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

Property Name	Value
Molecular Formula	C10H14
Molecular Weight	134.11
AlogP	2.95
Number of Rotational Bond	2.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C10H14

Molecular Weight

134.11

AlogP

2.95

Number of Rotational Bond

2.0

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	1074-55-1
NORMAN SUSDAT
FDA SRS	37KHA4S4F0
PubChem	14095
ChemSpider	13473.0

Resources

Reference

CAS NUMBER

1074-55-1

NORMAN SUSDAT

FDA SRS

37KHA4S4F0

PubChem

14095

ChemSpider

13473.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

P-PROPYLTOLUENE

Structure

Physicochemical Descriptors

Cross References