Molecule

ID:106049

General Information
Structure
MolImage
Molecular Formula
C₄₀H₅₆
Molecular Mass
536.87264
Exact Mass
536.43820179
Charge
0
InChI
InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3
InChIKey
OAIJSZIZWZSQBC-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C
Isomeric Smiles
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.931831
LogD (pH = 7.4)
11.931831
Log P
11.931831
Molar Refractivity
197.806
Polarizability
71.67456
Polar Surface Area
0.0
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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