Molecule
ID:16974
General Information
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c1-2-4-6-5-3-1/h5H,1-4H2
InChIKey
OZQGLZFAWYKKLQ-UHFFFAOYSA-N
Canonic Smiles
C1CCNOC1
Isomeric Smiles
C1CCONC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.056581713
LogD (pH = 7.4)
0.26354268
Log P
0.26693788
Molar Refractivity
34.1995
Polarizability
9.589044
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
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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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