Molecule

ID:78330

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O₂
Molecular Mass
236.34986
Exact Mass
236.17763001
Charge
0
InChI
InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
InChIKey
SLUKQUGVTITNSY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Isomeric Smiles
Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.211911
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.602121
LogD (pH = 7.4)
4.602055
Log P
4.602122
Molar Refractivity
71.8339
Polarizability
28.035046
Polar Surface Area
29.46
Rotatable Bonds
3
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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