Molecule

ID:15372

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c7-3-4-8-5-6-1-2-6/h6H,1-5,7H2
InChIKey
KPBXIYKZOFFPJF-UHFFFAOYSA-N
Canonic Smiles
NCCOCC1CC1
Isomeric Smiles
C1CC1COCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8749669
LogD (pH = 7.4)
-1.8993211
Log P
0.1081429
Molar Refractivity
32.9043
Polarizability
13.269628
Polar Surface Area
35.25
Rotatable Bonds
4
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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