Molecule

ID:106900

General Information
Structure
Molecular Formula
C₁₁H₁₆O
Molecular Mass
164.24414
Exact Mass
164.12011513
Charge
0
InChI
InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3
InChIKey
SNKLPZOJLXDZCW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1C)C(C)(C)C
Isomeric Smiles
Cc1cc(ccc1O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
10.602423
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7281547
LogD (pH = 7.4)
3.7278872
Log P
3.7281582
Molar Refractivity
51.746
Polarizability
20.007011
Polar Surface Area
20.23
Rotatable Bonds
1
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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