EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	H6M3VYC62P
EPA CompTox	DTXSID3060954

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

H6M3VYC62P

EPA CompTox

DTXSID3060954


InChI Key	ISYWECDDZWTKFF-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCC(=O)O
InChI	InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)

InChI Key

ISYWECDDZWTKFF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)

Property Name	Value
Molecular Formula	C19H38O2
Molecular Weight	298.29
AlogP	6.72
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	17.0
Polar Surface Area	37.3
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H38O2

Molecular Weight

298.29

AlogP

6.72

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

17.0

Polar Surface Area

37.3

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	646-30-0
NORMAN SUSDAT
FDA SRS	H6M3VYC62P
PubChem	12591
ChemSpider	12071.0

Resources

Reference

CAS NUMBER

646-30-0

NORMAN SUSDAT

FDA SRS

H6M3VYC62P

PubChem

12591

ChemSpider

12071.0

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

NONADECANOIC ACID

Structure

Physicochemical Descriptors

Cross References