Molecule

ID:102203

General Information
Structure
MolImage
Molecular Formula
C₃₁H₅₂O₃
Molecular Mass
472.74278
Exact Mass
472.39164552
Charge
0
InChI
InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
InChIKey
ZAKOWWREFLAJOT-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C
Isomeric Smiles
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
10.418544
LogD (pH = 7.4)
10.418544
Log P
10.418544
Molar Refractivity
144.5256
Polarizability
56.78112
Polar Surface Area
35.53
Rotatable Bonds
14
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation