EcoDrugPlus


Synonyms	Caricotamide
Status
Molecule Category	Free-form
UNII	MC09H30MFS
EPA CompTox	DTXSID80215170

Synonyms

Caricotamide

Status

Molecule Category

Free-form

UNII

MC09H30MFS

EPA CompTox

DTXSID80215170


InChI Key	WEJRSYKFMCUCRQ-UHFFFAOYSA-N
Smiles	NC(=O)CN1C=CCC(C(N)=O)=C1
InChI	InChI=1S/C8H11N3O2/c9-7(12)5-11-3-1-2-6(4-11)8(10)13/h1,3-4H,2,5H2,(H2,9,12)(H2,10,13)

InChI Key

WEJRSYKFMCUCRQ-UHFFFAOYSA-N

Smiles

NC(=O)CN1C=CCC(C(N)=O)=C1

InChI

InChI=1S/C8H11N3O2/c9-7(12)5-11-3-1-2-6(4-11)8(10)13/h1,3-4H,2,5H2,(H2,9,12)(H2,10,13)

Property Name	Value
Molecular Formula	C8H11N3O2
Molecular Weight	181.19
AlogP	-0.94
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	89.42
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H11N3O2

Molecular Weight

181.19

AlogP

-0.94

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

89.42

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

13.0

Resources	Reference
ChEMBL	CHEMBL2000716
FDA SRS	MC09H30MFS
PubChem	403128
SureChEMBL	SCHEMBL6546956
ZINC	ZINC000001661709

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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

CARICOTAMIDE

Structure

Physicochemical Descriptors

Cross References