EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HEE4JPA7DF
EPA CompTox	DTXSID10232113

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HEE4JPA7DF

EPA CompTox

DTXSID10232113


InChI Key	YJRCNAAPGQBVFS-UHFFFAOYSA-N
Smiles	Cc1c(N)c2c(cccc2)c(O)c1
InChI	InChI=1S/C11H11NO/c1-7-6-10(13)8-4-2-3-5-9(8)11(7)12/h2-6,13H,12H2,1H3

InChI Key

YJRCNAAPGQBVFS-UHFFFAOYSA-N

Smiles

Cc1c(N)c2c(cccc2)c(O)c1

InChI

InChI=1S/C11H11NO/c1-7-6-10(13)8-4-2-3-5-9(8)11(7)12/h2-6,13H,12H2,1H3

Property Name	Value
Molecular Formula	C11H11N1O1
Molecular Weight	173.08
AlogP	2.44
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	46.25
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H11N1O1

Molecular Weight

173.08

AlogP

2.44

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

46.25

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	83-69-2
NORMAN SUSDAT
FDA SRS	HEE4JPA7DF
PubChem	66524
ChemSpider	59895.0

Resources

Reference

CAS NUMBER

83-69-2

NORMAN SUSDAT

FDA SRS

HEE4JPA7DF

PubChem

66524

ChemSpider

59895.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

VITAMIN K7

Structure

Physicochemical Descriptors

Cross References