Molecule

ID:39686

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h1,4-5,7,12H,6,8H2,2H3
InChIKey
FCMRZOCPIJXDLQ-UHFFFAOYSA-N
Canonic Smiles
C#CCOc1ccc(cc1OC)CO
Isomeric Smiles
C(#C)COc1c(cc(cc1)CO)OC
Calculated Properties
JChem
Acid pKa
14.946207
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1186366
LogD (pH = 7.4)
1.1186366
Log P
1.1186366
Molar Refractivity
53.3805
Polarizability
20.407782
Polar Surface Area
38.69
Rotatable Bonds
4
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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