Molecule

ID:89235

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NO₂
Molecular Mass
105.13564
Exact Mass
105.0789786
Charge
0
InChI
InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
InChIKey
QKWWDTYDYOFRJL-UHFFFAOYSA-N
Canonic Smiles
NCC(OC)OC
Isomeric Smiles
NCC(OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.2094364
LogD (pH = 7.4)
-1.7257233
Log P
-0.3935318
Molar Refractivity
26.7434
Polarizability
11.027312
Polar Surface Area
44.48
Rotatable Bonds
3
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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