Molecule

ID:17000

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-7-4-2-3-5-9(7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
IZYFKLAMVLELBP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCCCC1C
Isomeric Smiles
N1(CC(=O)O)C(C)CCCC1
Calculated Properties
JChem
Acid pKa
1.9581794
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7954565
LogD (pH = 7.4)
-1.7956904
Log P
-1.795395
Molar Refractivity
42.6335
Polarizability
16.785397
Polar Surface Area
40.54
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