Molecule

ID:136714

General Information
Structure
MolImage
Molecular Formula
C₃₅H₄₆
Molecular Mass
466.73974
Exact Mass
466.35995147
Charge
0
InChI
InChI=1S/C35H46/c1-7-13-17-27(11-5)25-35(26-28(12-6)18-14-8-2)33-23-29(15-9-3)19-21-31(33)32-22-20-30(16-10-4)24-34(32)35/h19-24,27-28H,7-8,11-14,17-18,25-26H2,1-6H3
InChIKey
ZXEXPTZCRVWEEP-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC1(CC(CCCC)CC)c2cc(C#CC)ccc2c2c1cc(C#CC)cc2)CC
Isomeric Smiles
CCCCC(CC)CC1(c2cc(ccc2c2c1cc(cc2)C#CC)C#CC)CC(CC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.209478
LogD (pH = 7.4)
12.209478
Log P
12.209478
Molar Refractivity
160.0469
Polarizability
60.87341
Polar Surface Area
0.0
Rotatable Bonds
14
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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