Molecule

ID:128051

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈O₇
Molecular Mass
322.30992
Exact Mass
322.10525292
Charge
0
InChI
InChI=1S/C16H18O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,12-21H,1H3
InChIKey
ZZNPEGJLMUWYNN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1O)C1OC2C=C(O)C=C(C2C(C1O)O)O
Isomeric Smiles
OC1C(O)C2C(C=C(O)C=C2O)OC1c1cc(OC)c(cc1)O
Calculated Properties
JChem
Acid pKa
7.219093
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-0.33808848
LogD (pH = 7.4)
-0.73131883
Log P
-0.32987627
Molar Refractivity
82.3758
Polarizability
31.355074
Polar Surface Area
119.61
Rotatable Bonds
2
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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