EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D8P2VRA6LZ
EPA CompTox	DTXSID30159757

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D8P2VRA6LZ

EPA CompTox

DTXSID30159757


InChI Key	YCNUILAKOMIBAL-UHFFFAOYSA-N
Smiles	NN=C1c2c(cccc2)c2c1cccc2
InChI	InChI=1S/C13H10N2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,14H2

InChI Key

YCNUILAKOMIBAL-UHFFFAOYSA-N

Smiles

NN=C1c2c(cccc2)c2c1cccc2

InChI

InChI=1S/C13H10N2/c14-15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H,14H2

Property Name	Value
Molecular Formula	C13H10N2
Molecular Weight	194.08
AlogP	2.38
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	38.38
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C13H10N2

Molecular Weight

194.08

AlogP

2.38

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

38.38

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	13629-22-6
NORMAN SUSDAT
FDA SRS	D8P2VRA6LZ
PubChem	83627
ChemSpider	75451.0

Resources

Reference

CAS NUMBER

13629-22-6

NORMAN SUSDAT

FDA SRS

D8P2VRA6LZ

PubChem

83627

ChemSpider

75451.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

FLUOREN-9-ONE HYDRAZONE

Structure

Physicochemical Descriptors

Cross References