EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C2LR962W58

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C2LR962W58


InChI Key	BEOUGZFCUMNGOU-UHFFFAOYSA-N
Smiles	CCCCCCCCC(C)CCCCCCCCC(O)=O
InChI	InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

InChI Key

BEOUGZFCUMNGOU-UHFFFAOYSA-N

Smiles

CCCCCCCCC(C)CCCCCCCCC(O)=O

InChI

InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)

Property Name	Value
Molecular Formula	C19H38O2
Molecular Weight	298.29
AlogP	6.58
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	37.3
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H38O2

Molecular Weight

298.29

AlogP

6.58

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

37.3

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	542-47-2
NORMAN SUSDAT
FDA SRS	C2LR962W58

Resources

Reference

CAS NUMBER

542-47-2

NORMAN SUSDAT

FDA SRS

C2LR962W58

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

TUBERCULOSTEARIC ACID

Structure

Physicochemical Descriptors

Cross References