Molecule

ID:91060

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3
InChIKey
WBOXEOCWOCJQNK-UHFFFAOYSA-N
Canonic Smiles
CCOC(CC#N)OCC
Isomeric Smiles
O(C(CC#N)OCC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8900128
LogD (pH = 7.4)
0.8900128
Log P
0.8900128
Molar Refractivity
38.0541
Polarizability
14.872867
Polar Surface Area
42.25
Rotatable Bonds
5
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