Molecule

ID:87094

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₂
Molecular Mass
284.39266
Exact Mass
284.17763001
Charge
0
InChI
InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C
Isomeric Smiles
Oc1c(cc(cc1C)C(c1cc(c(c(c1)C)O)C)(C)C)C
Calculated Properties
JChem
Acid pKa
10.494618
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
6.0986567
LogD (pH = 7.4)
6.0983133
Log P
6.098661
Molar Refractivity
99.4399
Polarizability
33.65708
Polar Surface Area
40.46
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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