Molecule
ID:75076
General Information
Molecular Formula
C₂₁H₁₈O₆
Molecular Mass
366.36402
Exact Mass
366.1103383
Charge
0
InChI
InChI=1S/C21H18O6/c22-16-4-10-1-11-5-17(23)19(25)7-13(11)3-15-9-21(27)20(26)8-14(15)2-12(10)6-18(16)24/h4-9,22-27H,1-3H2
InChIKey
OOBDZXQTZWOBBQ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2Cc3cc(O)c(cc3Cc3c(Cc2cc1O)cc(O)c(c3)O)O
Isomeric Smiles
Oc1c(cc2c(c1)Cc1c(cc(c(c1)O)O)Cc1cc(c(cc1C2)O)O)O
Calculated Properties
JChem
Acid pKa
9.012674
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
4.4538574
LogD (pH = 7.4)
4.443505
Log P
4.45399
Molar Refractivity
101.097
Polarizability
37.723408
Polar Surface Area
121.38
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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