Molecule

ID:38199

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3
InChIKey
FNVOFDGAASRDQY-UHFFFAOYSA-N
Canonic Smiles
NCC(CO)(C)C
Isomeric Smiles
C(C)(C)(CO)CN
Calculated Properties
JChem
Acid pKa
15.089127
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2774792
LogD (pH = 7.4)
-2.3864028
Log P
-0.283926
Molar Refractivity
29.8358
Polarizability
12.084012
Polar Surface Area
46.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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