Molecule

ID:76529

General Information
Structure
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c9-6-5-8(7(10)11-6)3-1-2-4-8/h1-5H2
InChIKey
HOKKSYPZFBKQAZ-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)CC21CCCC2
Isomeric Smiles
O1C(=O)CC2(C1=O)CCCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2601011
LogD (pH = 7.4)
1.2601011
Log P
1.2601011
Molar Refractivity
36.8069
Polarizability
14.908308
Polar Surface Area
43.37
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
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References
Bioactivity
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