EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Indoor Environment Substances ; Plastic additives
Molecule Category	Free-form
UNII	V987Y9OZ8L
EPA CompTox	DTXSID5021596

Keyword(s):

Food Contact Chemicals ; Indoor Environment Substances ; Plastic additives

Molecule Category

Free-form

UNII

V987Y9OZ8L

EPA CompTox

DTXSID5021596


InChI Key	KEMQGTRYUADPNZ-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCC(=O)O
InChI	InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)

InChI Key

KEMQGTRYUADPNZ-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)

Property Name	Value
Molecular Formula	C17H34O2
Molecular Weight	270.26
AlogP	5.94
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	37.3
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H34O2

Molecular Weight

270.26

AlogP

5.94

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

37.3

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	506-12-7
NORMAN SUSDAT
FDA SRS	V987Y9OZ8L
PubChem	10465
ChemSpider	10033.0

Resources

Reference

CAS NUMBER

506-12-7

NORMAN SUSDAT

FDA SRS

V987Y9OZ8L

PubChem

10465

ChemSpider

10033.0

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

HEPTADECANOIC ACID

Structure

Physicochemical Descriptors

Cross References