Molecule

ID:133431

General Information
Structure
MolImage
Molecular Formula
C₂₈H₄₈O
Molecular Mass
400.68012
Exact Mass
400.37051616
Charge
0
InChI
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-10-11-23-21-16-25(29-6)28-17-20(28)12-15-27(28,5)24(21)13-14-26(22,23)4/h18-25H,7-17H2,1-6H3/t19?,20-,21?,22?,23?,24?,25?,26?,27?,28?/m1/s1
InChIKey
DSVYQBSADVVKNY-IZOIPNAJSA-N
Canonic Smiles
COC1CC2C3CCC(C3(C)CCC2C2(C31C[C@H]3CC2)C)C(CCCC(C)C)C
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C1(CCC1C2CC(C23C1(CC[C@@H]2C3)C)OC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.5517054
LogD (pH = 7.4)
7.5517054
Log P
7.5517054
Molar Refractivity
122.3832
Polarizability
49.395157
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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