Molecule

ID:135425

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₂
Molecular Mass
180.24354
Exact Mass
180.11502975
Charge
0
InChI
InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey
UFOUDYPOSJJEDJ-UHFFFAOYSA-N
Canonic Smiles
COC(C(c1ccccc1)C)OC
Isomeric Smiles
CC(c1ccccc1)C(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6672084
LogD (pH = 7.4)
2.6672084
Log P
2.6672084
Molar Refractivity
52.688
Polarizability
20.840952
Polar Surface Area
18.46
Rotatable Bonds
4
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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