Molecule

ID:82686

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-6H,7-8H2,1-2H3
InChIKey
MITIYLBEZOKYLX-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CCc2c(O1)cccc2
Isomeric Smiles
O1c2ccccc2CCC1(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9971833
LogD (pH = 7.4)
2.9971833
Log P
2.9971833
Molar Refractivity
49.4888
Polarizability
19.423681
Polar Surface Area
9.23
Rotatable Bonds
0
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
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References
Bioactivity
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