Molecule

ID:60142

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂O
Molecular Mass
278.38808
Exact Mass
278.16706532
Charge
0
InChI
InChI=1S/C20H22O/c21-19-4-2-16-8-18(3-1-17(16)9-19)20-10-13-5-14(11-20)7-15(6-13)12-20/h1-4,8-9,13-15,21H,5-7,10-12H2
InChIKey
XZRBITOOYQYBPN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)ccc(c2)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3CC1CC(C2)(C3)c1ccc2c(c1)ccc(c2)O
Calculated Properties
JChem
Acid pKa
9.78786
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.0077767
LogD (pH = 7.4)
5.0060353
Log P
5.007799
Molar Refractivity
85.1972
Polarizability
34.68053
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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