Molecule

ID:125179

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈O₃
Molecular Mass
304.42382
Exact Mass
304.20384476
Charge
0
InChI
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
InChIKey
QQIVKFZWLZJXJT-DNKQKWOHSA-N
Canonic Smiles
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H](C2=O)O)C)C1)C
Isomeric Smiles
O=C1[C@]2(CC[C@@H]3[C@@]4(C(=CC[C@H]3[C@@H]2C[C@H]1O)C[C@@H](O)CC4)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.49
LogD (pH = 5.5)
2.49
Log P
2.49
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
13.38
Polar Surface Area
57.53
Polarizability
34.91
Molar Refractivity
86.15
LOG S
-3.65
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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