Molecule
ID:119199
General Information
Molecular Formula
C₂₉H₅₀O₂
Molecular Mass
430.7061
Exact Mass
430.38108084
Charge
0
InChI
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29+/m0/s1
InChIKey
GVJHHUAWPYXKBD-IHMCZWCLSA-N
Canonic Smiles
C[C@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@H](CCCC(C)C)C
Isomeric Smiles
c12c(c(c(c(c1C)C)O)C)CC[C@](O2)(CCC[C@H](CCC[C@H](CCCC(C)C)C)C)C
Calculated Properties
JChem
Acid pKa
10.802178
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
10.507715
LogD (pH = 7.4)
10.507546
Log P
10.507717
Molar Refractivity
135.3741
Polarizability
52.98319
Polar Surface Area
29.46
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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