EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	TK1T520ASG
EPA CompTox	DTXSID50184667

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

TK1T520ASG

EPA CompTox

DTXSID50184667


InChI Key	FWWDFDMCZLOXQI-UHFFFAOYSA-N
Smiles	CC(C)(C)C(=O)NNCc1ccccc1
InChI	InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)

InChI Key

FWWDFDMCZLOXQI-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)NNCc1ccccc1

InChI

InChI=1S/C12H18N2O/c1-12(2,3)11(15)14-13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3,(H,14,15)

Property Name	Value
Molecular Formula	C12H18N2O1
Molecular Weight	206.14
AlogP	2.69
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	44.62
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H18N2O1

Molecular Weight

206.14

AlogP

2.69

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

44.62

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	306-19-4
NORMAN SUSDAT
FDA SRS	TK1T520ASG
PubChem	9375
ChemSpider	9007.0

Resources

Reference

CAS NUMBER

306-19-4

NORMAN SUSDAT

FDA SRS

TK1T520ASG

PubChem

9375

ChemSpider

9007.0

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

PIVHYDRAZINE

Structure

Physicochemical Descriptors

Cross References