Molecule

ID:41501

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-8(2,7-10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3
InChIKey
WWILHZQYNPQALT-UHFFFAOYSA-N
Canonic Smiles
O=CC(N1CCOCC1)(C)C
Isomeric Smiles
N1(C(C=O)(C)C)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.36555338
LogD (pH = 7.4)
0.2735515
Log P
0.2925662
Molar Refractivity
43.429
Polarizability
17.03371
Polar Surface Area
29.54
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