EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SJQ46AQD7V
EPA CompTox	DTXSID10193816

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SJQ46AQD7V

EPA CompTox

DTXSID10193816


InChI Key	JLZMCVVHWMNZOF-UHFFFAOYSA-N
Smiles	NNC(=O)CCOc1ccc(cc1)C(=O)NN
InChI	InChI=1S/C10H14N4O3/c11-13-9(15)5-6-17-8-3-1-7(2-4-8)10(16)14-12/h1-4H,5-6,11-12H2,(H,13,15)(H,14,16)

InChI Key

JLZMCVVHWMNZOF-UHFFFAOYSA-N

Smiles

NNC(=O)CCOc1ccc(cc1)C(=O)NN

InChI

InChI=1S/C10H14N4O3/c11-13-9(15)5-6-17-8-3-1-7(2-4-8)10(16)14-12/h1-4H,5-6,11-12H2,(H,13,15)(H,14,16)

Property Name	Value
Molecular Formula	C10H14N4O3
Molecular Weight	238.11
AlogP	-0.11
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	122.96
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H14N4O3

Molecular Weight

238.11

AlogP

-0.11

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

5.0

Polar Surface Area

122.96

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	40835-52-7
NORMAN SUSDAT
FDA SRS	SJQ46AQD7V
PubChem	3016226
ChemSpider	2284211.0

Resources

Reference

CAS NUMBER

40835-52-7

NORMAN SUSDAT

FDA SRS

SJQ46AQD7V

PubChem

3016226

ChemSpider

2284211.0

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

P-(3-HYDRAZINO-3-OXOPROPOXY)BENZOHYDRAZIDE

Structure

Physicochemical Descriptors

Cross References