Molecule

ID:106150

General Information
Structure
MolImage
Molecular Formula
C₃₄H₄₈Cl₂O₂
Molecular Mass
559.64972
Exact Mass
558.30313614
Charge
0
InChI
InChI=1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3
InChIKey
NZZFKZMKJPWVDL-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)c1ccc(cc1Cl)Cl)C)C
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)c1ccc(Cl)cc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
10.816278
LogD (pH = 7.4)
10.816278
Log P
10.816278
Molar Refractivity
160.0481
Polarizability
63.232124
Polar Surface Area
26.3
Rotatable Bonds
8
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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