Molecule

ID:135760

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀O₄
Molecular Mass
312.3597
Exact Mass
312.13615912
Charge
0
InChI
InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2
InChIKey
XUCHXOAWJMEFLF-UHFFFAOYSA-N
Canonic Smiles
O1CC1COc1ccc(cc1)Cc1ccc(cc1)OCC1OC1
Isomeric Smiles
c1cc(ccc1Cc1ccc(cc1)OCC1CO1)OCC1CO1
Calculated Properties
JChem
LogD (pH = 7.4)
3.43
LogD (pH = 5.5)
3.43
Log P
3.43
Rotatable Bonds
8
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-3.81
Polar Surface Area
43.52
Polarizability
34.41
Molar Refractivity
86.21
LOG S
-4.47
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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