Molecule

ID:119026

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₈O₂
Molecular Mass
300.43512
Exact Mass
300.20893014
Charge
0
InChI
InChI=1S/C20H28O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,12,15-17H,5-11H2,1-3H3/t15-,16?,17?,19-,20-/m0/s1
InChIKey
WSIQEGIPGPEMTC-ZVWUZSKRSA-N
Canonic Smiles
COC1=CC2=CC[C@@H]3C([C@]2(CC1)C)CC[C@]1(C3CCC1=O)C
Isomeric Smiles
[C@@]12(C(=CC[C@@H]3C1CC[C@]1(C3CCC1=O)C)C=C(CC2)OC)C
Calculated Properties
JChem
Acid pKa
19.9577
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.672575
LogD (pH = 7.4)
3.672575
Log P
3.672575
Molar Refractivity
90.9035
Polarizability
34.93832
Polar Surface Area
26.3
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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