Molecule

ID:135237

General Information
Structure
MolImage
Molecular Formula
C₃H₆O
Molecular Mass
59.07179484
Exact Mass
59.04521965
Charge
0
InChI
InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3/i3+1
InChIKey
NBBJYMSMWIIQGU-LBPDFUHNSA-N
Canonic Smiles
CC[13CH]=O
Isomeric Smiles
CC[13CH]=O
Calculated Properties
JChem
Acid pKa
15.09236
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.3185739
LogD (pH = 7.4)
0.31857386
Log P
0.3185739
Molar Refractivity
16.3452
Polarizability
6.329682
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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