Molecule

ID:109999

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₄O₃
Molecular Mass
382.53566
Exact Mass
382.25079495
Charge
0
InChI
InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3
InChIKey
ARVUDIQYNJVQIW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1
Isomeric Smiles
CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
Calculated Properties
JChem
Acid pKa
8.068695
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
8.5006485
LogD (pH = 7.4)
8.418148
Log P
8.501811
Molar Refractivity
115.7592
Polarizability
45.387398
Polar Surface Area
46.53
Rotatable Bonds
14
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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