EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	PJB18S9URE
EPA CompTox	DTXSID1075303

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

PJB18S9URE

EPA CompTox

DTXSID1075303


InChI Key	FVSUYFWWFUVGRG-UHFFFAOYSA-N
Smiles	NC(=O)Nc1c2ccccc2ccc1
InChI	InChI=1S/C11H10N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)

InChI Key

FVSUYFWWFUVGRG-UHFFFAOYSA-N

Smiles

NC(=O)Nc1c2ccccc2ccc1

InChI

InChI=1S/C11H10N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)

Property Name	Value
Molecular Formula	C11H10N2O1
Molecular Weight	186.08
AlogP	2.74
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	56.11
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H10N2O1

Molecular Weight

186.08

AlogP

2.74

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

56.11

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	6950-84-1
NORMAN SUSDAT
FDA SRS	PJB18S9URE
PubChem	81387
ChemSpider	73435.0

Resources

Reference

CAS NUMBER

6950-84-1

NORMAN SUSDAT

FDA SRS

PJB18S9URE

PubChem

81387

ChemSpider

73435.0

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

UREA, 1-NAPHTHALENYL-

Structure

Physicochemical Descriptors

Cross References