Molecule

ID:129792

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆O₂
Molecular Mass
286.40854
Exact Mass
286.19328007
Charge
0
InChI
InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3
InChIKey
ZROLHBHDLIHEMS-UHFFFAOYSA-N
Canonic Smiles
CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C
Isomeric Smiles
CCCc1cc2c(C3C=C(CCC3C(O2)(C)C)C)c(c1)O
Calculated Properties
JChem
Acid pKa
9.342931
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.054958
LogD (pH = 7.4)
5.050126
Log P
5.05502
Molar Refractivity
87.5315
Polarizability
33.78491
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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