Molecule

ID:87646

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKey
CKTUXQBZPWBFDX-UHFFFAOYSA-N
Canonic Smiles
NC1CCCC(C1)C(=O)O
Isomeric Smiles
O=C(C1CC(CCC1)N)O
Calculated Properties
JChem
Acid pKa
4.460894
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8972485
LogD (pH = 7.4)
-1.8667186
Log P
-1.8671275
Molar Refractivity
37.1729
Polarizability
14.9515705
Polar Surface Area
63.32
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