Molecule

ID:110620

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
LYDRKKWPKKEMNZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.03
LogD (pH = 5.5)
3.03
Log P
3.03
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.90
Polar Surface Area
26.30
Polarizability
19.89
Molar Refractivity
51.89
LOG S
-2.54
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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