EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7SC5H39HND
EPA CompTox	DTXSID6071160

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7SC5H39HND

EPA CompTox

DTXSID6071160


InChI Key	ISKXCVCGYJQVMQ-UHFFFAOYSA-N
Smiles	Cc1ccc(O)c(N)c1C
InChI	InChI=1S/C8H11NO/c1-5-3-4-7(10)8(9)6(5)2/h3-4,10H,9H2,1-2H3

InChI Key

ISKXCVCGYJQVMQ-UHFFFAOYSA-N

Smiles

Cc1ccc(O)c(N)c1C

InChI

InChI=1S/C8H11NO/c1-5-3-4-7(10)8(9)6(5)2/h3-4,10H,9H2,1-2H3

Property Name	Value
Molecular Formula	C8H11N1O1
Molecular Weight	137.08
AlogP	1.59
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	46.25
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H11N1O1

Molecular Weight

137.08

AlogP

1.59

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

46.25

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	68134-25-8
NORMAN SUSDAT
FDA SRS	7SC5H39HND
PubChem	109581
ChemSpider	98496.0

Resources

Reference

CAS NUMBER

68134-25-8

NORMAN SUSDAT

FDA SRS

7SC5H39HND

PubChem

109581

ChemSpider

98496.0

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

PHENOL, 2-AMINO-3,4-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References