EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	99QW5JU66Y

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

99QW5JU66Y


InChI Key	LYONXVJRBWWGQO-UHFFFAOYSA-N
Smiles	C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2
InChI	InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)

InChI Key

LYONXVJRBWWGQO-UHFFFAOYSA-N

Smiles

C1C(CN(C1=O)CC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)

Property Name	Value
Molecular Formula	C12H14N2O2
Molecular Weight	218.11
AlogP	1.54
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	64.39
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H14N2O2

Molecular Weight

218.11

AlogP

1.54

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

64.39

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	77472-70-9
NORMAN SUSDAT
FDA SRS	99QW5JU66Y
PubChem	132441
ChemSpider	116950.0

Resources

Reference

CAS NUMBER

77472-70-9

NORMAN SUSDAT

FDA SRS

99QW5JU66Y

PubChem

132441

ChemSpider

116950.0

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

PHENYLPIRACETAM

Structure

Physicochemical Descriptors

Cross References