Molecule

ID:3425

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₂
Molecular Mass
74.07854
Exact Mass
74.03677943
Charge
0
InChI
InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1
InChIKey
BSABBBMNWQWLLU-VKHMYHEASA-N
Canonic Smiles
C[C@@H](C=O)O
Isomeric Smiles
C[C@H](O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.63
LogD (pH = 5.5)
-0.63
Log P
-0.63
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.01
Polar Surface Area
37.30
Polarizability
7.17
Molar Refractivity
17.91
LOG S
0.57
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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