Molecule

ID:70537

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O₂
Molecular Mass
170.20896
Exact Mass
170.1055277
Charge
0
InChI
InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
InChIKey
HPHUVLMMVZITSG-LURJTMIESA-N
Canonic Smiles
CC[C@H](N1CCCC1=O)C(=O)N
Isomeric Smiles
C(=O)([C@H](CC)N1C(=O)CCC1)N
Calculated Properties
JChem
Acid pKa
16.088663
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.59360594
LogD (pH = 7.4)
-0.5936059
Log P
-0.5936059
Molar Refractivity
44.0793
Polarizability
17.197067
Polar Surface Area
63.4
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...