Molecule

ID:80756

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5,9H,1-2H3
InChIKey
SMFFZOQLHYIRDA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(O)ccc1OC
Isomeric Smiles
O(c1c(ccc(c1)O)OC)C
Calculated Properties
JChem
Acid pKa
9.934265
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3543221
LogD (pH = 7.4)
1.3530779
Log P
1.3543379
Molar Refractivity
40.9653
Polarizability
15.979875
Polar Surface Area
38.69
Rotatable Bonds
2
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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