Molecule

ID:29858

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3
InChIKey
PBKGYWLWIJLDGZ-UHFFFAOYSA-N
Canonic Smiles
OCC(N(C)C)C
Isomeric Smiles
C(N(C)C)(C)CO
Calculated Properties
JChem
Acid pKa
15.122709
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4085023
LogD (pH = 7.4)
-1.9797328
Log P
-0.08335752
Molar Refractivity
30.6992
Polarizability
12.084012
Polar Surface Area
23.47
Rotatable Bonds
2
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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