Molecule
ID:119207
General Information
Molecular Formula
C₁₉H₂₄O₂
Molecular Mass
284.39266
Exact Mass
284.17763001
Charge
0
InChI
InChI=1S/C19H24O2/c20-17-11-5-3-10-16(17)19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)21-19/h3,5,7,10-11,14-15,18-20H,1-2,4,6,8-9,12H2
InChIKey
OHGDLAIDNZPIJH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1C1OC2CCCCC2C2=CCCCC12
Isomeric Smiles
C1(OC2C(C3=CCCCC13)CCCC2)c1c(O)cccc1
Calculated Properties
JChem
Acid pKa
9.082079
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4122143
LogD (pH = 7.4)
4.4034457
Log P
4.4123273
Molar Refractivity
84.9014
Polarizability
33.143158
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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