Molecule

ID:79541

General Information
Structure
Molecular Formula
C₁₁H₁₆O
Molecular Mass
164.24414
Exact Mass
164.12011513
Charge
0
InChI
InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
InChIKey
MCUPBIBNSTXCPQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(C)(C)C
Isomeric Smiles
O(c1ccc(cc1)C(C)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3606308
LogD (pH = 7.4)
3.3606308
Log P
3.3606308
Molar Refractivity
51.1871
Polarizability
20.161074
Polar Surface Area
9.23
Rotatable Bonds
2
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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