Molecule

ID:55331

General Information
Structure
MolImage
Molecular Formula
C₅H₁₃NO
Molecular Mass
103.16282
Exact Mass
103.09971404
Charge
0
InChI
InChI=1S/C5H13NO/c1-5(2,6)4-7-3/h4,6H2,1-3H3
InChIKey
CMZQPQQRGBOLHN-UHFFFAOYSA-N
Canonic Smiles
COCC(N)(C)C
Isomeric Smiles
C(N)(COC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9913278
LogD (pH = 7.4)
-2.3877
Log P
0.02471732
Molar Refractivity
30.0193
Polarizability
12.157154
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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