Molecule

ID:72979

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-/m1/s1
InChIKey
XVULBTBTFGYVRC-ANXRZQSGSA-N
Canonic Smiles
C=CC(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCCC2(C)C)(O)C
Isomeric Smiles
C1[C@@]([C@@H]([C@@]2(C(C1)C(CCC2)(C)C)C)CCC(C)(C=C)O)(C)O
Calculated Properties
JChem
Acid pKa
18.25447
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.336858
LogD (pH = 7.4)
4.3368583
Log P
4.3368583
Molar Refractivity
92.9829
Polarizability
37.120052
Polar Surface Area
40.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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