Molecule

ID:127306

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₆O₃
Molecular Mass
384.55154
Exact Mass
384.26644501
Charge
0
InChI
InChI=1S/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1
InChIKey
RFWTZQAOOLFXAY-BZDYCCQFSA-N
Canonic Smiles
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O
Isomeric Smiles
O=C(O[C@H]1CC[C@H]2[C@H]3[C@@H](c4ccc(O)cc4CC3)CC[C@]12C)CCCCCC
Calculated Properties
JChem
Acid pKa
10.327061
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.665431
LogD (pH = 7.4)
6.6649265
Log P
6.665437
Molar Refractivity
112.0871
Polarizability
44.347862
Polar Surface Area
46.53
Rotatable Bonds
7
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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