Molecule

ID:127917

General Information
Structure
MolImage
Molecular Formula
C₄₀H₄₈
Molecular Mass
528.80912
Exact Mass
528.37560154
Charge
0
InChI
InChI=1S/C40H48/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-28H,1-10H3
InChIKey
ZCIHMQAPACOQHT-UHFFFAOYSA-N
Canonic Smiles
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\c1c(C)ccc(c1C)C)/C)/C)/C=C/C=C(/C=C/c1c(C)ccc(c1C)C)\C
Isomeric Smiles
Cc1c(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/c2c(C)c(C)ccc2C)/C)/C)c(C)ccc1C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
12.584785
LogD (pH = 7.4)
12.584785
Log P
12.584785
Molar Refractivity
191.4368
Polarizability
69.37322
Polar Surface Area
0.0
Rotatable Bonds
10
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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