Molecule

ID:89472

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₃
Molecular Mass
154.1632
Exact Mass
154.06299418
Charge
0
InChI
InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3
InChIKey
QSZCGGBDNYTQHH-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)cccc1O
Isomeric Smiles
Oc1c(c(ccc1)OC)OC
Calculated Properties
JChem
Acid pKa
10.006644
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3543246
LogD (pH = 7.4)
1.3532723
Log P
1.3543379
Molar Refractivity
40.9653
Polarizability
15.982197
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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