Molecule

ID:136046

General Information
Structure
MolImage
Molecular Formula
C₃H₄O
Molecular Mass
59.04122451
Exact Mass
59.03627926
Charge
0
InChI
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2/i1+1,2+1,3+1
InChIKey
HGINCPLSRVDWNT-VMIGTVKRSA-N
Canonic Smiles
[13CH2]=[13CH][13CH]=O
Isomeric Smiles
[13CH2]=[13CH][13CH]=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
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation