Molecule

ID:52885

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₃
Molecular Mass
170.20566
Exact Mass
170.09429431
Charge
0
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
InChIKey
FGSGHBPKHFDJOP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCCC1=O
Isomeric Smiles
C1(C(=O)CCCC1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.347747
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9582971
LogD (pH = 7.4)
1.9128866
Log P
1.7255752
Molar Refractivity
44.0568
Polarizability
17.447
Polar Surface Area
43.37
Rotatable Bonds
3
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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