EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Free-form
EPA CompTox	DTXSID80859179

Keyword(s):

Human Neurotoxin

Molecule Category

Free-form

EPA CompTox

DTXSID80859179


InChI Key	SRVJKTDHMYAMHA-WUXMJOGZSA-N
Smiles	CC(=O)Nc1ccc(C=NNC(N)=S)cc1
InChI	InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+

InChI Key

SRVJKTDHMYAMHA-WUXMJOGZSA-N

Smiles

CC(=O)Nc1ccc(C=NNC(N)=S)cc1

InChI

InChI=1S/C10H12N4OS/c1-7(15)13-9-4-2-8(3-5-9)6-12-14-10(11)16/h2-6H,1H3,(H,13,15)(H3,11,14,16)/b12-6+

Property Name	Value
Molecular Formula	C10H12N4O1S1
Molecular Weight	236.07
AlogP	2.08
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	80.83
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H12N4O1S1

Molecular Weight

236.07

AlogP

2.08

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

80.83

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	910379-02-1
NORMAN SUSDAT
PubChem	9568512
ChemSpider	7843221.0

Resources

Reference

CAS NUMBER

910379-02-1

NORMAN SUSDAT

PubChem

9568512

ChemSpider

7843221.0

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

N-{4-[(E)-(CARBAMOTHIOYLHYDRAZONO)METHYL]PHENYL}ACETAMIDE

Structure

Physicochemical Descriptors

Cross References