EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70194521

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70194521


InChI Key	PLANJDCYAMHXKN-UHFFFAOYSA-N
Smiles	OC1(CCCCC1)c1ncccc1
InChI	InChI=1S/C11H15NO/c13-11(7-3-1-4-8-11)10-6-2-5-9-12-10/h2,5-6,9,13H,1,3-4,7-8H2

InChI Key

PLANJDCYAMHXKN-UHFFFAOYSA-N

Smiles

OC1(CCCCC1)c1ncccc1

InChI

InChI=1S/C11H15NO/c13-11(7-3-1-4-8-11)10-6-2-5-9-12-10/h2,5-6,9,13H,1,3-4,7-8H2

Property Name	Value
Molecular Formula	C11H15N1O1
Molecular Weight	177.12
AlogP	2.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	33.12
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H15N1O1

Molecular Weight

177.12

AlogP

2.23

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

33.12

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	41727-18-8
NORMAN SUSDAT
PubChem	3016295
ChemSpider	2284259.0

Resources

Reference

CAS NUMBER

41727-18-8

NORMAN SUSDAT

PubChem

3016295

ChemSpider

2284259.0

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...

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Last update: Monday, 3 November 2025

1-(2-PYRIDYL)CYCLOHEXAN-1-OL

Structure

Physicochemical Descriptors

Cross References