Molecule

ID:63141

General Information
Structure
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-8-3-2-6(5-9)4-7(8)10/h6,9H,2-5H2,1H3
InChIKey
QCFBLWLBSQDHDE-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C(=O)C1)C
Isomeric Smiles
OCC1CCN(C)C(=O)C1
Calculated Properties
JChem
Acid pKa
15.450586
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.98307073
LogD (pH = 7.4)
-0.9830704
Log P
-0.9830704
Molar Refractivity
38.1559
Polarizability
14.750852
Polar Surface Area
40.54
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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