Molecule

ID:70881

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₃
Molecular Mass
116.11522
Exact Mass
116.04734412
Charge
0
InChI
InChI=1S/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m1/s1
InChIKey
BOTREHHXSQGWTR-SCSAIBSYSA-N
Canonic Smiles
OC(=O)[C@H]1COCC1
Isomeric Smiles
O1C[C@@H](CC1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2005324
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4091827
LogD (pH = 7.4)
-3.1240952
Log P
-0.09100112
Molar Refractivity
26.6394
Polarizability
10.524128
Polar Surface Area
46.53
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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