EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	IL94262N7K

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

IL94262N7K


InChI Key	IYNWSQDZXMGGGI-NUEKZKHPSA-N
Smiles	c1cc2c(cc1O)[C@@]34CCCC[C@H]3[C@@H](C2)NCC4
InChI	InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m0/s1

InChI Key

IYNWSQDZXMGGGI-NUEKZKHPSA-N

Smiles

c1cc2c(cc1O)[C@@]34CCCC[C@H]3[C@@H](C2)NCC4

InChI

InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m0/s1

Property Name	Value
Molecular Formula	C16H21N1O1
Molecular Weight	243.16
AlogP	2.74
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	32.26
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C16H21N1O1

Molecular Weight

243.16

AlogP

2.74

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

32.26

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	1531-12-0
NORMAN SUSDAT
FDA SRS	IL94262N7K
PubChem	5463854
ChemSpider	16735936.0

Resources

Reference

CAS NUMBER

1531-12-0

NORMAN SUSDAT

FDA SRS

IL94262N7K

PubChem

5463854

ChemSpider

16735936.0

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

NORLEVORPHANOL

Structure

Physicochemical Descriptors

Cross References