Molecule

ID:118944

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₃
Molecular Mass
304.42382
Exact Mass
304.20384476
Charge
0
InChI
InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h2,13-16,20-21H,3-11H2,1H3/t13-,14-,15?,16?,18-,19+/m0/s1
InChIKey
SGYCSWPEAHDOHE-XAWPGXAWSA-N
Canonic Smiles
OC[C@]12CC[C@@H](CC1=CC[C@@H]1C2CC[C@]2(C1CCC2=O)C)O
Isomeric Smiles
[C@@]12(C(=CC[C@@H]3C1CC[C@]1(C3CCC1=O)C)C[C@H](CC2)O)CO
Calculated Properties
JChem
Acid pKa
18.204174
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0809338
LogD (pH = 7.4)
2.0809338
Log P
2.0809338
Molar Refractivity
86.4336
Polarizability
33.878315
Polar Surface Area
57.53
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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