Molecule

ID:111694

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₂O
Molecular Mass
428.73328
Exact Mass
428.40181628
Charge
0
InChI
InChI=1S/C30H52O/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(31-21(3)4)15-17-29(23,6)28(25)16-18-30(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3
InChIKey
CZSGREWSSMQULY-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(C)C)C)C
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.529399
LogD (pH = 7.4)
8.529399
Log P
8.529399
Molar Refractivity
134.5351
Polarizability
53.592842
Polar Surface Area
9.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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