Molecule

ID:50436

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₂
Molecular Mass
198.26212
Exact Mass
198.13682783
Charge
0
InChI
InChI=1S/C10H18N2O2/c13-10-3-4-11-5-6-12(10)8-9-2-1-7-14-9/h9,11H,1-8H2
InChIKey
PYRIXRVUOBEADT-UHFFFAOYSA-N
Canonic Smiles
O=C1CCNCCN1CC1CCCO1
Isomeric Smiles
N1(C(=O)CCNCC1)CC1OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1461856
LogD (pH = 7.4)
-1.4140877
Log P
-0.5904088
Molar Refractivity
53.3787
Polarizability
21.132917
Polar Surface Area
41.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation