Molecule

ID:58128

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-6(2)5-8-4-3-7-6/h7H,3-5H2,1-2H3
InChIKey
HEYGLTRAXBZNAD-UHFFFAOYSA-N
Canonic Smiles
CC1(C)COCCN1
Isomeric Smiles
C1(COCCN1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6260939
LogD (pH = 7.4)
-1.0164913
Log P
0.28577277
Molar Refractivity
32.8249
Polarizability
13.269628
Polar Surface Area
21.26
Rotatable Bonds
0
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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