EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	90282P2S37
EPA CompTox	DTXSID90161210

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

90282P2S37

EPA CompTox

DTXSID90161210


InChI Key	BQSAUYXITCMAKS-YUMQZZPRSA-N
Smiles	CCC[C@H]1CC[C@H](O)CN1
InChI	InChI=1S/C8H17NO/c1-2-3-7-4-5-8(10)6-9-7/h7-10H,2-6H2,1H3/t7-,8-/m0/s1

InChI Key

BQSAUYXITCMAKS-YUMQZZPRSA-N

Smiles

CCC[C@H]1CC[C@H](O)CN1

InChI

InChI=1S/C8H17NO/c1-2-3-7-4-5-8(10)6-9-7/h7-10H,2-6H2,1H3/t7-,8-/m0/s1

Property Name	Value
Molecular Formula	C8H17NO
Molecular Weight	143.13
AlogP	0.9
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	32.26
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H17NO

Molecular Weight

143.13

AlogP

0.9

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

32.26

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	140-55-6
NORMAN SUSDAT
FDA SRS	90282P2S37
PubChem	120641
ChemSpider	107703.0

Resources

Reference

CAS NUMBER

140-55-6

NORMAN SUSDAT

FDA SRS

90282P2S37

PubChem

120641

ChemSpider

107703.0

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

PSEUDOCONHYDRINE

Structure

Physicochemical Descriptors

Cross References