Molecule

ID:131404

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀O₃
Molecular Mass
306.4397
Exact Mass
306.21949482
Charge
0
InChI
InChI=1S/C19H30O3/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/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
InChIKey
GUGSXATYPSGVAY-DHKQUUGRSA-N
Canonic Smiles
O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3C[C@H]([C@@H]2O)O)C)C1)C
Isomeric Smiles
C[C@]12CC[C@@H](CC1=CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C)O
Calculated Properties
JChem
Acid pKa
13.623894
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.7232738
LogD (pH = 7.4)
1.7232735
Log P
1.7232738
Molar Refractivity
86.8427
Polarizability
34.424397
Polar Surface Area
60.69
Rotatable Bonds
0
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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