Molecule

ID:136365

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₃
Molecular Mass
146.18426
Exact Mass
146.09429431
Charge
0
InChI
InChI=1S/C7H14O3/c8-3-1-7(2-4-9)5-10-6-7/h8-9H,1-6H2
InChIKey
KPHFJQUSEFYKKK-UHFFFAOYSA-N
Canonic Smiles
OCCC1(CCO)COC1
Isomeric Smiles
C1C(CO1)(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.647251
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.99956053
LogD (pH = 7.4)
-0.99956053
Log P
-0.99956053
Molar Refractivity
37.7276
Polarizability
14.867777
Polar Surface Area
49.69
Rotatable Bonds
4
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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