Molecule

ID:129210

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆O₇
Molecular Mass
426.45904
Exact Mass
426.16785317
Charge
0
InChI
InChI=1S/C24H26O7/c1-29-21-10-14(4-7-18(21)26)17(13-25)24(15-5-8-19(27)22(11-15)30-2)16-6-9-20(28)23(12-16)31-3/h4-12,17,24-28H,13H2,1-3H3
InChIKey
YYZUHPNBYRRBOR-UHFFFAOYSA-N
Canonic Smiles
OCC(C(c1ccc(c(c1)OC)O)c1ccc(c(c1)OC)O)c1ccc(c(c1)OC)O
Isomeric Smiles
OCC(c1ccc(O)c(OC)c1)C(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1
Calculated Properties
JChem
Acid pKa
9.582875
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
3.4749804
LogD (pH = 7.4)
3.472187
Log P
3.475016
Molar Refractivity
116.7724
Polarizability
44.88498
Polar Surface Area
108.61
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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