Molecule

ID:118971

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₆O₂
Molecular Mass
308.49864
Exact Mass
308.27153039
Charge
0
InChI
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey
XVULBTBTFGYVRC-HHUCQEJWSA-N
Canonic Smiles
C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C
Isomeric Smiles
[C@@]12([C@H](C(CCC2)(C)C)CC[C@]([C@@H]1CC[C@](C=C)(O)C)(O)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.34
LogD (pH = 5.5)
4.34
Log P
4.34
Rotatable Bonds
4
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-0.41
Polar Surface Area
40.46
Polarizability
37.69
Molar Refractivity
92.98
LOG S
-4.70
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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