Molecule

ID:135325

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3
InChIKey
JYVXNLLUYHCIIH-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCC(C1)(C)O
Isomeric Smiles
CC1(CCOC(=O)C1)O
Calculated Properties
JChem
Acid pKa
14.71489
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.42890844
LogD (pH = 7.4)
-0.42890847
Log P
-0.42890844
Molar Refractivity
31.0192
Polarizability
12.506425
Polar Surface Area
46.53
Rotatable Bonds
0
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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