Molecule

ID:119372

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₆
Molecular Mass
300.26288
Exact Mass
300.0633881
Charge
0
InChI
InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1
InChIKey
HLUCICHZHWJHLL-INIZCTEOSA-N
Canonic Smiles
O=C1C=C2C[C@]3(C(=C2C=C1O)c1ccc(c(c1OC3)O)O)O
Isomeric Smiles
C12=C3[C@](CC1=CC(=O)C(=C2)O)(COc1c3ccc(c1O)O)O
Calculated Properties
JChem
Acid pKa
8.738166
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
0.34310648
LogD (pH = 7.4)
0.32387298
Log P
0.34335658
Molar Refractivity
79.1189
Polarizability
29.177156
Polar Surface Area
107.22
Rotatable Bonds
0
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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