Molecule

ID:1837

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+
InChIKey
LDHQCZJRKDOVOX-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C(=O)O
Isomeric Smiles
C/C=C/C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.71
LogD (pH = 5.5)
0.06
Log P
0.92
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.71
Polar Surface Area
37.30
Polarizability
8.52
Molar Refractivity
22.96
LOG S
-0.49
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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