Molecule

ID:119321

General Information
Structure
Molecular Formula
C₂₀H₂₈O₂
Molecular Mass
300.43512
Exact Mass
300.20893014
Charge
0
InChI
InChI=1S/C20H28O2/c1-14(2)8-7-13-20(4)17-12-11-15(3)21-19(17)16-9-5-6-10-18(16)22-20/h5-6,8-10,15,17,19H,7,11-13H2,1-4H3
InChIKey
RIDUKCBURFEWNE-UHFFFAOYSA-N
Canonic Smiles
CC1CCC2C(O1)c1ccccc1OC2(C)CCC=C(C)C
Isomeric Smiles
C12C(C(Oc3c1cccc3)(CCC=C(C)C)C)CCC(O2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.941307
LogD (pH = 7.4)
4.941307
Log P
4.941307
Molar Refractivity
91.1421
Polarizability
35.797516
Polar Surface Area
18.46
Rotatable Bonds
3
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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