Molecule

ID:129278

General Information
Structure
MolImage
Molecular Formula
C₂₈H₂₄O₄
Molecular Mass
424.48776
Exact Mass
424.16745925
Charge
0
InChI
InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
InChIKey
JMKSVONWZFVEAI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(CCc3ccc2c(O)c3)ccc1O
Isomeric Smiles
C1Cc2c(ccc(c2)O)c2c(cc(CCc3cc(c(cc3)O)Oc3ccc1cc3)cc2)O
Calculated Properties
JChem
Acid pKa
8.687372
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
7.309262
LogD (pH = 7.4)
7.287698
Log P
7.309542
Molar Refractivity
125.9961
Polarizability
49.377125
Polar Surface Area
69.92
Rotatable Bonds
0
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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