Molecule

ID:61785

General Information
Structure
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Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-2-7-3-6(1)4-8-5-6/h7H,1-5H2
InChIKey
ZHAIMJRKJKQNQI-UHFFFAOYSA-N
Canonic Smiles
C1NCC2(C1)COC2
Isomeric Smiles
C1OCC21CNCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6830788
LogD (pH = 7.4)
-3.5012794
Log P
-0.44394606
Molar Refractivity
31.1434
Polarizability
12.542403
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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