Molecule

ID:1670

General Information
Structure
Molecular Formula
C₆H₉NO₂
Molecular Mass
127.14116
Exact Mass
127.06332853
Charge
0
InChI
InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKey
GHAZCVNUKKZTLG-UHFFFAOYSA-N
Canonic Smiles
CCN1C(=O)CCC1=O
Isomeric Smiles
CCN1C(=O)CCC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.41
LogD (pH = 5.5)
-0.41
Log P
-0.41
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.73
Polar Surface Area
37.38
Polarizability
12.78
Molar Refractivity
31.93
LOG S
-0.33
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation