Molecule

ID:130675

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₇
Molecular Mass
310.29922
Exact Mass
310.10525292
Charge
0
InChI
InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3
InChIKey
RYEFFICCPKWYML-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2C(C1C1(O)CC3C4(C1(C2OC4=O)C)O3)C(O)(C)C
Isomeric Smiles
CC12C3C4C(C(C1(CC1C2(O1)C(=O)O3)O)C(=O)O4)C(C)(C)O
Calculated Properties
JChem
Acid pKa
13.596322
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.0787522
LogD (pH = 7.4)
-1.0787524
Log P
-1.0787522
Molar Refractivity
68.2899
Polarizability
28.414474
Polar Surface Area
105.59
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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