EcoDrugPlus


Synonyms	Tetradecane
Molecule Category	Free-form
UNII	03LY784Y58
EPA CompTox	DTXSID1027267
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Tetradecane

Molecule Category

Free-form

UNII

03LY784Y58

EPA CompTox

DTXSID1027267

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	BGHCVCJVXZWKCC-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC
InChI	InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChI Key

BGHCVCJVXZWKCC-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC

InChI

InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3

Property Name	Value
Molecular Formula	C14H30
Molecular Weight	198.39
AlogP	6.76
Number of Rotational Bond	11.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C14H30

Molecular Weight

198.39

AlogP

6.76

Number of Rotational Bond

11.0

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	629-59-4
ChEMBL	CHEMBL135488
FDA SRS	03LY784Y58
PDB	C14
PubChem	12389
SureChEMBL	SCHEMBL33320
ZINC	ZINC01698519

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PDB

PubChem

SureChEMBL

ZINC

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

TETRADECANE

Structure

Physicochemical Descriptors

Cross References