Molecule

ID:71677

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-11-8(10)4-7-9-5-2-3-6-9/h2-7H2,1H3
InChIKey
JHYKOXJKJHTKTE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCN1CCCC1
Isomeric Smiles
C1CN(CC1)CCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.837814
LogD (pH = 7.4)
-1.356969
Log P
0.45685703
Molar Refractivity
43.0822
Polarizability
17.03371
Polar Surface Area
29.54
Rotatable Bonds
4
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