Molecule

ID:64049

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-6(3-7-2)4-8-5-6/h7H,3-5H2,1-2H3
InChIKey
SBEROSHQCHPJIB-UHFFFAOYSA-N
Canonic Smiles
CNCC1(C)COC1
Isomeric Smiles
C1(COC1)(C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1972866
LogD (pH = 7.4)
-2.6309426
Log P
0.029586812
Molar Refractivity
32.875
Polarizability
13.269628
Polar Surface Area
21.26
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
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References
Bioactivity
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