Molecule

ID:125770

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₈O₃
Molecular Mass
386.56742
Exact Mass
386.28209508
Charge
0
InChI
InChI=1S/C25H38O3/c1-4-5-6-7-11-25(12-8-13-25)17-14-21(27)23-19-16-18(26)9-10-20(19)24(2,3)28-22(23)15-17/h14-15,18-20,26-27H,4-13,16H2,1-3H3/t18-,19-,20-/m1/s1
InChIKey
CSXKNESDVLECTJ-VAMGGRTRSA-N
Canonic Smiles
CCCCCCC1(CCC1)c1cc(O)c2c(c1)OC([C@H]1[C@H]2C[C@H](O)CC1)(C)C
Isomeric Smiles
CCCCCCC1(CCC1)c1cc(c2c(c1)OC([C@H]1[C@H]2C[C@@H](CC1)O)(C)C)O
Calculated Properties
JChem
Acid pKa
9.982205
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
6.133031
LogD (pH = 7.4)
6.131917
Log P
6.133045
Molar Refractivity
114.0289
Polarizability
44.879063
Polar Surface Area
49.69
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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