Molecule

ID:3973

General Information
Structure
MolImage
Molecular Formula
C₄H₆O
Molecular Mass
70.08984
Exact Mass
70.04186481
Charge
0
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+
InChIKey
MLUCVPSAIODCQM-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C=O
Isomeric Smiles
C/C=C/C=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.76
LogD (pH = 5.5)
0.76
Log P
0.76
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.09
Polar Surface Area
17.07
Polarizability
7.63
Molar Refractivity
22.04
LOG S
-0.29
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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