Molecule

ID:58442

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂O
Molecular Mass
242.35598
Exact Mass
242.16706532
Charge
0
InChI
InChI=1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3
InChIKey
XHLJIHBDAJFXBE-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1C12CC3CC(C2)CC(C1)C3)C
Isomeric Smiles
C1C2CC3CC1(CC(C2)C3)c1cc(ccc1O)C
Calculated Properties
JChem
Acid pKa
10.929992
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.531742
LogD (pH = 7.4)
4.531616
Log P
4.5317435
Molar Refractivity
73.7882
Polarizability
28.867437
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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