Molecule

ID:107836

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/t19-,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey
UCTLRSWJYQTBFZ-DDPQNLDTSA-N
Canonic Smiles
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC=C2[C@]1(C)CC[C@@H](C2)O)C)C
Isomeric Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Calculated Properties
JChem
LogD (pH = 7.4)
6.71
LogD (pH = 5.5)
6.71
Log P
6.71
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-1.37
Polar Surface Area
20.23
Polarizability
49.96
Molar Refractivity
121.47
LOG S
-8.72
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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