Molecule

ID:58117

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO
Molecular Mass
139.19492
Exact Mass
139.09971404
Charge
0
InChI
InChI=1S/C8H13NO/c10-7-8(3-1-4-8)5-2-6-9-7/h1-6H2,(H,9,10)
InChIKey
DAQJFZXSHUKANE-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCCC21CCC2
Isomeric Smiles
C12(CCC1)C(=O)NCCC2
Calculated Properties
JChem
Acid pKa
14.769669
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.94480205
LogD (pH = 7.4)
0.9448027
Log P
0.9448027
Molar Refractivity
38.7332
Polarizability
15.217685
Polar Surface Area
29.1
Rotatable Bonds
0
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