EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	14F18XM77Q
EPA CompTox	DTXSID40871877

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

14F18XM77Q

EPA CompTox

DTXSID40871877


InChI Key	HMAMGXMFMCAOPV-UHFFFAOYSA-N
Smiles	C=1C=CC2=C(C1)C=CC=C2CCC
InChI	InChI=1/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3

InChI Key

HMAMGXMFMCAOPV-UHFFFAOYSA-N

Smiles

C=1C=CC2=C(C1)C=CC=C2CCC

InChI

InChI=1/C13H14/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h3-5,7-10H,2,6H2,1H3

Property Name	Value
Molecular Formula	C13H14
Molecular Weight	170.11
AlogP	3.79
Number of Rotational Bond	2.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C13H14

Molecular Weight

170.11

AlogP

3.79

Number of Rotational Bond

2.0

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	2765-18-6
NORMAN SUSDAT
FDA SRS	14F18XM77Q
PubChem	33800

Resources

Reference

CAS NUMBER

2765-18-6

NORMAN SUSDAT

FDA SRS

14F18XM77Q

PubChem

33800

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

1-PROPYLNAPHTHALENE

Structure

Physicochemical Descriptors

Cross References