Molecule

ID:102734

General Information
Structure
MolImage
Molecular Formula
C₃₁H₅₂O₂
Molecular Mass
456.74338
Exact Mass
456.3967309
Charge
0
InChI
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3
InChIKey
PBWOIPCULUXTNY-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C
Isomeric Smiles
CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
8.285603
LogD (pH = 7.4)
8.285603
Log P
8.285603
Molar Refractivity
138.9176
Polarizability
55.471222
Polar Surface Area
26.3
Rotatable Bonds
8
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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