EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	DREOMNYRDQHKPV-OUKQBFOZSA-N
Smiles	CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI	InChI=1S/C50H101NO16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-52-21-23-54-25-27-56-29-31-58-33-35-60-37-39-62-41-43-64-45-47-66-49-50-67-48-46-65-44-42-63-40-38-61-36-34-59-32-30-57-28-26-55-24-22-53-20-18-51/h12-13H,2-11,14-51H2,1H3/b13-12+

InChI Key

DREOMNYRDQHKPV-OUKQBFOZSA-N

Smiles

CCCCCCCCCCC/C=C/CCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

InChI

InChI=1S/C50H101NO16/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-52-21-23-54-25-27-56-29-31-58-33-35-60-37-39-62-41-43-64-45-47-66-49-50-67-48-46-65-44-42-63-40-38-61-36-34-59-32-30-57-28-26-55-24-22-53-20-18-51/h12-13H,2-11,14-51H2,1H3/b13-12+

Property Name	Value
Molecular Formula	C50H101NO16
Molecular Weight	971.71
AlogP	6.25
Hydrogen Bond Acceptor	17.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	63.0
Polar Surface Area	173.7
Heavy Atoms	67.0

Property Name

Value

Molecular Formula

C50H101NO16

Molecular Weight

971.71

AlogP

6.25

Hydrogen Bond Acceptor

17.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

63.0

Polar Surface Area

173.7

Heavy Atoms

67.0

Resources	Reference
NORMAN SUSDAT

Resources

Reference

NORMAN SUSDAT


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

AMINES, C18 MOST STABLE UNSATURATED 16 EO

Structure

Physicochemical Descriptors

Cross References