Molecule
ID:71579
General Information
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-3-6-4-5(2)7/h5-7H,3-4H2,1-2H3
InChIKey
UCYJVNBJCIZMTJ-UHFFFAOYSA-N
Canonic Smiles
CCNCC(O)C
Isomeric Smiles
N(CC(O)C)CC
Calculated Properties
JChem
Acid pKa
15.2966795
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3287067
LogD (pH = 7.4)
-2.6279392
Log P
-0.109597504
Molar Refractivity
30.1531
Polarizability
12.084012
Polar Surface Area
32.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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