EcoDrugPlus


Keyword(s):	Human Metabolites ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	213N3S8275
EPA CompTox	DTXSID8022036

Keyword(s):

Human Metabolites ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

213N3S8275

EPA CompTox

DTXSID8022036


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	DSSYKIVIOFKYAU-OIBJUYFYSA-N
Smiles	CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
InChI	InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

InChI Key

DSSYKIVIOFKYAU-OIBJUYFYSA-N

Smiles

CC1(C)[C@H]2CC[C@]1(C)C(=O)C2

InChI

InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

Property Name	Value
Molecular Formula	C10H16O
Molecular Weight	152.12
AlogP	2.4
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	0.0
Polar Surface Area	17.07
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C10H16O

Molecular Weight

152.12

AlogP

2.4

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

0.0

Polar Surface Area

17.07

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	464-48-2
NORMAN SUSDAT
FDA SRS	213N3S8275
PubChem	444294
ChemSpider	392267.0

Resources

Reference

CAS NUMBER

464-48-2

NORMAN SUSDAT

FDA SRS

213N3S8275

PubChem

444294

ChemSpider

392267.0


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).

(1S)-(-)-CAMPHOR

Structure

Physicochemical Descriptors

Cross References