Molecule

ID:51179

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₃
Molecular Mass
159.18302
Exact Mass
159.08954328
Charge
0
InChI
InChI=1S/C7H13NO3/c1-8(2)6(9)4-3-5-7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKey
IFPUIUKCHWNXJK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)N(C)C
Isomeric Smiles
C(=O)(N(C)C)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.5914397
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.271577
LogD (pH = 7.4)
-3.0471401
Log P
-0.3135048
Molar Refractivity
39.7536
Polarizability
15.423447
Polar Surface Area
57.61
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