Molecule

ID:135367

General Information
Structure
MolImage
Molecular Formula
C₃H₄O
Molecular Mass
57.05591484
Exact Mass
57.02956959
Charge
0
InChI
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2/i2+1
InChIKey
HGINCPLSRVDWNT-VQEHIDDOSA-N
Canonic Smiles
C=[13CH]C=O
Isomeric Smiles
C=[13CH]C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.37433103
LogD (pH = 7.4)
0.37433103
Log P
0.37433103
Molar Refractivity
16.366
Polarizability
6.085805
Polar Surface Area
17.07
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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