Molecule

ID:58765

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c16-7-10-11(17)12(18)13(19)14(20-10)15-6-5-8-3-1-2-4-9(8)15/h1-4,10-14,16-19H,5-7H2/t10?,11-,12?,13?,14-/m1/s1
InChIKey
LDRVOIOWMVOAJP-YZYFRFPQSA-N
Canonic Smiles
OCC1O[C@H](C(C([C@@H]1O)O)O)N1CCc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)CCN2[C@@H]1OC([C@@H](O)C(O)C1O)CO
Calculated Properties
JChem
Acid pKa
12.444879
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.292784
LogD (pH = 7.4)
-0.29278788
Log P
-0.29278398
Molar Refractivity
71.4583
Polarizability
27.912733
Polar Surface Area
93.39
Rotatable Bonds
2
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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