Molecule

ID:71281

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₃
Molecular Mass
143.14056
Exact Mass
143.05824315
Charge
0
InChI
InChI=1S/C6H9NO3/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H2,7,8)(H,9,10)
InChIKey
IMVNGQDQHJICRV-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(CCC1)C(=O)O
Isomeric Smiles
C1(C(=O)N)(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.8188653
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7421935
LogD (pH = 7.4)
-3.3118339
Log P
-0.05821654
Molar Refractivity
32.6843
Polarizability
12.907137
Polar Surface Area
80.39
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