Molecule

ID:51519

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₄
Molecular Mass
286.32242
Exact Mass
286.12050906
Charge
0
InChI
InChI=1S/C17H18O4/c1-20-16(19)15(18)17(21-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKey
BEPLSLADXOJCBY-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(=O)OC)O)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(C(c1ccccc1)(c1ccccc1)OC)(C(=O)OC)O
Calculated Properties
JChem
Acid pKa
11.372628
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5640428
LogD (pH = 7.4)
2.5639973
Log P
2.5640435
Molar Refractivity
78.8898
Polarizability
31.19242
Polar Surface Area
55.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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