EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EH28ZYL2G5
EPA CompTox	DTXSID20167063

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EH28ZYL2G5

EPA CompTox

DTXSID20167063


InChI Key	IJSVVICYGLOZHA-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)Nc1ccccc1
InChI	InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)

InChI Key

IJSVVICYGLOZHA-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)Nc1ccccc1

InChI

InChI=1S/C10H11NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)

Property Name	Value
Molecular Formula	C10H11N1O1
Molecular Weight	161.08
AlogP	2.85
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	32.59
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H11N1O1

Molecular Weight

161.08

AlogP

2.85

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

32.59

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1611-83-2
NORMAN SUSDAT
FDA SRS	EH28ZYL2G5
PubChem	74164
ChemSpider	66774.0

Resources

Reference

CAS NUMBER

1611-83-2

NORMAN SUSDAT

FDA SRS

EH28ZYL2G5

PubChem

74164

ChemSpider

66774.0

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

N-PHENYLMETHACRYLAMIDE

Structure

Physicochemical Descriptors

Cross References