Molecule

ID:58764

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₆
Molecular Mass
307.29858
Exact Mass
307.10558727
Charge
0
InChI
InChI=1S/C15H17NO6/c17-6-8-5-16(10-4-2-1-3-9(8)10)15-14(21)13(20)12(19)11(7-18)22-15/h1-6,11-15,18-21H,7H2/t11?,12-,13?,14?,15-/m1/s1
InChIKey
WJFHBZYDHHWPRW-POTWKZLCSA-N
Canonic Smiles
OCC1O[C@H](C(C([C@@H]1O)O)O)n1cc(c2c1cccc2)C=O
Isomeric Smiles
c1ccc2c(c1)c(cn2[C@@H]1OC([C@@H](O)C(O)C1O)CO)C=O
Calculated Properties
JChem
Acid pKa
12.360471
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.405776
LogD (pH = 7.4)
-0.40578067
Log P
-0.40577593
Molar Refractivity
76.2873
Polarizability
30.966618
Polar Surface Area
112.15
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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