Molecule

ID:33081

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-10-6-4-9-7-8-3-2-5-11-8/h8-9H,2-7H2,1H3
InChIKey
XFMVWTLWOAPUIJ-UHFFFAOYSA-N
Canonic Smiles
COCCNCC1CCCO1
Isomeric Smiles
O1C(CNCCOC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9503136
LogD (pH = 7.4)
-1.6778886
Log P
0.17873505
Molar Refractivity
43.9916
Polarizability
17.64941
Polar Surface Area
30.49
Rotatable Bonds
5
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