Molecule

ID:135306

General Information
Structure
MolImage
Molecular Formula
C₃H₆O
Molecular Mass
60.078901
Exact Mass
60.04611119
Charge
0
InChI
InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i4+2
InChIKey
CSCPPACGZOOCGX-DOMIDYPGSA-N
Canonic Smiles
CC(=[18O])C
Isomeric Smiles
CC(=[18O])C
Calculated Properties
JChem
Acid pKa
19.51124
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.106279805
LogD (pH = 7.4)
0.106279805
Log P
0.106279805
Molar Refractivity
16.1948
Polarizability
6.329682
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
Synonyms
丙酮-18OAcetone-18O
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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