Molecule

ID:67497

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO₂
Molecular Mass
117.14634
Exact Mass
117.0789786
Charge
0
InChI
InChI=1S/C5H11NO2/c6-8-5-3-1-2-4-7-5/h5H,1-4,6H2
InChIKey
NLXXVSKHVGDQAT-UHFFFAOYSA-N
Canonic Smiles
NOC1CCCCO1
Isomeric Smiles
NOC1CCCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5154879
LogD (pH = 7.4)
0.53774035
Log P
0.5380316
Molar Refractivity
30.3645
Polarizability
12.143482
Polar Surface Area
44.48
Rotatable Bonds
1
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