Molecule

ID:109118

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂
Molecular Mass
105.13564
Exact Mass
105.0789786
Charge
0
InChI
InChI=1S/C4H11NO2/c5-1-3-7-4-2-6/h6H,1-5H2
InChIKey
GIAFURWZWWWBQT-UHFFFAOYSA-N
Canonic Smiles
NCCOCCO
Isomeric Smiles
NCCOCCO
Calculated Properties
JChem
Acid pKa
15.121229
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.34564
LogD (pH = 7.4)
-3.3699522
Log P
-1.3625364
Molar Refractivity
27.2546
Polarizability
10.957657
Polar Surface Area
55.48
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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