Molecule

ID:111873

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₂
Molecular Mass
216.27564
Exact Mass
216.11502975
Charge
0
InChI
InChI=1S/C14H16O2/c1-8-5-9(2)11-10(6-8)7-14(3,4)13(16)12(11)15/h5-6H,7H2,1-4H3
InChIKey
VMBYPSXFGMSMNS-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2CC(C)(C)C(=O)C(=O)c2c(c1)C
Isomeric Smiles
Cc1cc(C)c2C(=O)C(=O)C(C)(C)Cc2c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.251619
LogD (pH = 7.4)
4.251619
Log P
4.251619
Molar Refractivity
64.2296
Polarizability
24.294468
Polar Surface Area
34.14
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
References
Bioactivity
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