Molecule

ID:108792

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+
InChIKey
MUTGBJKUEZFXGO-OLQVQODUSA-N
Canonic Smiles
O=C1OC(=O)[C@@H]2[C@H]1CCCC2
Isomeric Smiles
O=C1OC(=O)[C@@H]2CCCC[C@H]12
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.247073
LogD (pH = 7.4)
1.247073
Log P
1.247073
Molar Refractivity
36.8804
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
References
Bioactivity
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