EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	X9U41NXR6M
EPA CompTox	DTXSID30183057

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

X9U41NXR6M

EPA CompTox

DTXSID30183057


InChI Key	UVCOILFBWYKHHB-UHFFFAOYSA-N
Smiles	c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)F
InChI	InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

InChI Key

UVCOILFBWYKHHB-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)F

InChI

InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

Property Name	Value
Molecular Formula	C15H10Cl1F1N2O1
Molecular Weight	288.05
AlogP	3.92
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	44.95
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H10Cl1F1N2O1

Molecular Weight

288.05

AlogP

3.92

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

44.95

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	2886-65-9
NORMAN SUSDAT
FDA SRS	X9U41NXR6M
PubChem	4540
ChemSpider	4381.0

Resources

Reference

CAS NUMBER

2886-65-9

NORMAN SUSDAT

FDA SRS

X9U41NXR6M

PubChem

4540

ChemSpider

4381.0

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

NORFLUDIAZEPAM

Structure

Physicochemical Descriptors

Cross References