Molecule

ID:78634

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-12-10-4-2-9(3-5-10)6-13-7-11-8-14-11/h2-5,11H,6-8H2,1H3
InChIKey
QWWVSLBMMUDNTB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COCC1OC1
Isomeric Smiles
O1C(C1)COCc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5326179
LogD (pH = 7.4)
1.5326179
Log P
1.5326179
Molar Refractivity
52.833
Polarizability
20.86416
Polar Surface Area
30.99
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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