Molecule

ID:110642

General Information
Structure
MolImage
Molecular Formula
C₃₅H₅₂O₂
Molecular Mass
504.78618
Exact Mass
504.3967309
Charge
0
InChI
InChI=1S/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3
InChIKey
JHFRODPXYCPTCM-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Cc1ccccc1)C)C
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
9.388354
LogD (pH = 7.4)
9.388354
Log P
9.388354
Molar Refractivity
154.4899
Polarizability
61.40588
Polar Surface Area
26.3
Rotatable Bonds
9
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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