Molecule

ID:30761

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10)3-4-8(2)5-7/h3-5H2,1-2H3,(H,9,10)
InChIKey
NQIXAABODWHHFU-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(C1)(C)C(=O)O
Isomeric Smiles
C1(C(=O)O)(CN(CC1)C)C
Calculated Properties
JChem
Acid pKa
3.72515
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2056963
LogD (pH = 7.4)
-2.200564
Log P
-2.2001975
Molar Refractivity
38.116
Polarizability
14.9515705
Polar Surface Area
40.54
Rotatable Bonds
1
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