EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	V3H1ZVV9S6
EPA CompTox	DTXSID30881147

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

V3H1ZVV9S6

EPA CompTox

DTXSID30881147


InChI Key	JLOAJISUHPIQOX-UHFFFAOYSA-N
Smiles	N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
InChI	InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2

InChI Key

JLOAJISUHPIQOX-UHFFFAOYSA-N

Smiles

N1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2

InChI

InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2

Property Name	Value
Molecular Formula	C17H17N3S1
Molecular Weight	295.11
AlogP	3.13
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Polar Surface Area	27.63
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H17N3S1

Molecular Weight

295.11

AlogP

3.13

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Polar Surface Area

27.63

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	5747-48-8
NORMAN SUSDAT
FDA SRS	V3H1ZVV9S6
PubChem	11369918
ChemSpider	9544835.0

Resources

Reference

CAS NUMBER

5747-48-8

NORMAN SUSDAT

FDA SRS

V3H1ZVV9S6

PubChem

11369918

ChemSpider

9544835.0

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

NORQUETIAPINE

Structure

Physicochemical Descriptors

Cross References