Molecule

ID:91064

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
119.16222
Exact Mass
119.09462866
Charge
0
InChI
InChI=1S/C5H13NO2/c1-6-4-5(7-2)8-3/h5-6H,4H2,1-3H3
InChIKey
HUMIEJNVCICTPJ-UHFFFAOYSA-N
Canonic Smiles
CNCC(OC)OC
Isomeric Smiles
N(CC(OC)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9870617
LogD (pH = 7.4)
-1.4978089
Log P
0.039048582
Molar Refractivity
31.518
Polarizability
12.860454
Polar Surface Area
30.49
Rotatable Bonds
4
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
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Molecule Details
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References
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Bioactivity
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