Molecule
ID:85828
General Information
Molecular Formula
C₃₄H₄₈O₃
Molecular Mass
504.74312
Exact Mass
504.3603454
Charge
0
InChI
InChI=1S/C34H48O3/c1-22(2)10-9-11-23(3)29-21-30-34(37-30)28-15-14-25-20-26(36-31(35)24-12-7-6-8-13-24)16-18-32(25,4)27(28)17-19-33(29,34)5/h6-8,12-13,15,22-23,25-27,29-30H,9-11,14,16-21H2,1-5H3
InChIKey
CILRIFLDZZZEPV-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CC2C3(C1(C)CCC1C3=CCC3C1(C)CCC(C3)OC(=O)c1ccccc1)O2)C)C
Isomeric Smiles
O1C23C1CC(C2(CCC1C3=CCC2C1(CCC(C2)OC(=O)c1ccccc1)C)C)C(CCCC(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.691597
LogD (pH = 7.4)
8.691597
Log P
8.691597
Molar Refractivity
149.664
Polarizability
59.460846
Polar Surface Area
38.83
Rotatable Bonds
8
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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