Molecule

ID:50460

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-8-3-2-6(5-8)4-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
GXZULSXLGWEQFS-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(C1)CC(=O)O
Isomeric Smiles
N1(CC(CC(=O)O)CC1)C
Calculated Properties
JChem
Acid pKa
4.3107057
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.666835
LogD (pH = 7.4)
-2.6460855
Log P
-2.645647
Molar Refractivity
38.2671
Polarizability
14.9515705
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