EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	VFF49836P8
EPA CompTox	DTXSID6058639

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

VFF49836P8

EPA CompTox

DTXSID6058639


InChI Key	ZYURHZPYMFLWSH-UHFFFAOYSA-N
Smiles	C(CCCCCCCCCCCCCC)CCCCCCCCCCCCC
InChI	InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChI Key

ZYURHZPYMFLWSH-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCCC)CCCCCCCCCCCCC

InChI

InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

Property Name	Value
Molecular Formula	C28H58
Molecular Weight	394.45
AlogP	11.17
Number of Rotational Bond	25.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C28H58

Molecular Weight

394.45

AlogP

11.17

Number of Rotational Bond

25.0

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	630-02-4
NORMAN SUSDAT
FDA SRS	VFF49836P8
PubChem	12408
ChemSpider	11902.0

Resources

Reference

CAS NUMBER

630-02-4

NORMAN SUSDAT

FDA SRS

VFF49836P8

PubChem

12408

ChemSpider

11902.0


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).

OCTACOSANE

Structure

Physicochemical Descriptors

Cross References