Molecule

ID:126382

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂O₂
Molecular Mass
282.37678
Exact Mass
282.16197994
Charge
0
InChI
InChI=1S/C19H22O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h7-11,20H,5-6H2,1-4H3
InChIKey
SVTKBAIRFMXQQF-UHFFFAOYSA-N
Canonic Smiles
CCCc1cc(O)c2c(c1)OC(c1c2cc(C)cc1)(C)C
Isomeric Smiles
Oc1cc(cc2OC(c3c(c12)cc(cc3)C)(C)C)CCC
Calculated Properties
JChem
Acid pKa
9.318552
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.523528
LogD (pH = 7.4)
5.5184193
Log P
5.523594
Molar Refractivity
86.5343
Polarizability
34.631386
Polar Surface Area
29.46
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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