Molecule

ID:108098

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO
Molecular Mass
115.17352
Exact Mass
115.09971404
Charge
0
InChI
InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3
InChIKey
HNVIQLPOGUDBSU-UHFFFAOYSA-N
Canonic Smiles
CC1CNCC(O1)C
Isomeric Smiles
CC1CNCC(C)O1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5269608
LogD (pH = 7.4)
-0.9484328
Log P
0.42177114
Molar Refractivity
32.6055
Polarizability
13.269628
Polar Surface Area
21.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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