Molecule

ID:135151

General Information
Structure
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Molecular Formula
C₃H₆O
Molecular Mass
59.07179484
Exact Mass
59.04521965
Charge
0
InChI
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2/i3+1
InChIKey
XXROGKLTLUQVRX-LBPDFUHNSA-N
Canonic Smiles
O[13CH2]C=C
Isomeric Smiles
C=C[13CH2]O
Calculated Properties
JChem
Acid pKa
16.164537
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.21267276
LogD (pH = 7.4)
0.21267276
Log P
0.21267276
Molar Refractivity
17.424
Polarizability
6.632082
Polar Surface Area
20.23
Rotatable Bonds
1
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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