Molecule

ID:17753

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-6(5(7)8)3-2-4-9-6/h2-4H2,1H3,(H,7,8)
InChIKey
WMQAQMYIZDJCDJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(C)CCCO1
Isomeric Smiles
C(=O)(C1(OCCC1)C)O
Calculated Properties
JChem
Acid pKa
3.9338415
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.92004174
LogD (pH = 7.4)
-2.5427265
Log P
0.6530524
Molar Refractivity
31.0967
Polarizability
12.337922
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
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Molecule Details
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References
Bioactivity
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