Molecule

ID:87105

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄O₂
Molecular Mass
296.40336
Exact Mass
296.17763001
Charge
0
InChI
InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3
InChIKey
SVOBELCYOCEECO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1C)C1(CCCCC1)c1ccc(c(c1)C)O
Isomeric Smiles
Oc1c(cc(cc1)C1(c2ccc(c(c2)C)O)CCCCC1)C
Calculated Properties
JChem
Acid pKa
10.117242
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.9417877
LogD (pH = 7.4)
5.9409704
Log P
5.941798
Molar Refractivity
101.3583
Polarizability
34.92198
Polar Surface Area
40.46
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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