Molecule

ID:108797

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3
InChIKey
RILLZYSZSDGYGV-UHFFFAOYSA-N
Canonic Smiles
OCCNC(C)C
Isomeric Smiles
CC(C)NCCO
Calculated Properties
JChem
Acid pKa
15.601789
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.3266695
LogD (pH = 7.4)
-2.5969293
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
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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