Molecule

ID:110202

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
119.16222
Exact Mass
119.09462866
Charge
0
InChI
InChI=1S/C4H12N.CH2O2/c1-5(2,3)4;2-1-3/h1-4H3;1H,(H,2,3)/q+1;/p-1
InChIKey
WWIYWFVQZQOECA-UHFFFAOYSA-M
Canonic Smiles
C[N+](C)(C)C.[O-]C=O
Isomeric Smiles
[O-]C=O.C[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.9721673
LogD (pH = 7.4)
-3.9721673
Log P
-3.9721673
Molar Refractivity
35.9017
Polarizability
9.572162
Polar Surface Area
0.0
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
References
Bioactivity
Navigation