Molecule

ID:132351

General Information
Structure
MolImage
Molecular Formula
C₄₃H₇₄O₂
Molecular Mass
623.04646
Exact Mass
622.56888161
Charge
0
InChI
InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12+
InChIKey
HODJWNWCVNUPAQ-OUKQBFOZSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
13.672021
LogD (pH = 7.4)
13.672021
Log P
13.672021
Molar Refractivity
195.3245
Polarizability
77.38918
Polar Surface Area
26.3
Rotatable Bonds
20
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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