Molecule

ID:103165

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₄O
Molecular Mass
384.63766
Exact Mass
384.33921603
Charge
0
InChI
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3
InChIKey
UCTLRSWJYQTBFZ-UHFFFAOYSA-N
Canonic Smiles
CC(CCCC(C1CCC2C1(C)CCC1C2=CC=C2C1(C)CCC(C2)O)C)C
Isomeric Smiles
CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
Calculated Properties
JChem
Acid pKa
18.270805
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.7073097
LogD (pH = 7.4)
6.7073097
Log P
6.7073097
Molar Refractivity
121.4665
Polarizability
47.743767
Polar Surface Area
20.23
Rotatable Bonds
5
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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